Integrate AD functionalities from num-dual

.github/workflows/rust.yml

@@ -32,3 +32,15 @@ jobs:
       - uses: actions/checkout@v4
       - name: Run tests (ndarray)
         run: cargo test --release --features "ndarray approx"
+  test_nalgebra:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - name: Run tests (nalgebra)
+        run: cargo test --release --features "nalgebra approx"
+  test_num_dual:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - name: Run tests (num-dual)
+        run: cargo test --release --features "num-dual approx"

.github/workflows/test_python.yml

@@ -35,4 +35,4 @@ jobs:
           maturin build --release --out dist
           pip install si-units --no-index --find-links dist --force-reinstall
       - name: Test with pytest
-        run: pytest example/extend_quantity/test.py
+        run: pytest --doctest-modules example/extend_quantity/test.py

CHANGELOG.md

@@ -6,8 +6,13 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [Unreleased]
 
+## [0.11.0] - 2025-09-28
+### Added
+- Added core functionalities for quantities with underlying data structures from `nalgebra`. [#92](https://github.com/itt-ustutt/quantity/pull/92)
+- Added automatic differentiation capabilities from the `num-dual` crate. [#92](https://github.com/itt-ustutt/quantity/pull/92)
+
 ## [0.10.6] - 2025-06-24
-## Changed
+### Changed
 - Updated the optional num-dual dependency to 0.11.2. [#91](https://github.com/itt-ustutt/quantity/pull/91)
 
 ## [0.10.5] - 2025-06-03

Cargo.toml

@@ -1,12 +1,12 @@
 [package]
 name = "quantity"
-version = "0.10.6"
+version = "0.11.0"
 authors = [
     "Philipp Rehner <prehner@ethz.ch>",
     "Gernot Bauer <bauer@itt.uni-stuttgart.de>",
 ]
-rust-version = "1.81"
-edition = "2021"
+rust-version = "1.87"
+edition = "2024"
 license = "MIT OR Apache-2.0"
 description = "Representation of quantites, i.e. of unit valued scalars and arrays."
 homepage = "https://github.com/itt-ustutt/quantity"
@@ -29,17 +29,20 @@ num-traits = "0.2"
 document-features = "0.2"
 ## Use N-dimensional arrays from the [ndarray] crate as value of a quantity.
 ndarray = { version = "0.16", optional = true }
+## Use dynamic or static arrays from the [nalgebra] crate as value of a quantity.
+nalgebra = { version = "0.34", optional = true }
 approx = { version = "0.5", optional = true }
-pyo3 = { version = "0.23", optional = true }
-numpy = { version = "0.23", optional = true }
-## Use generalized (hyper-)dual numbers from the [num-dual] crate as value of a quantity.
-num-dual = { version = "0.11.2", optional = true }
+pyo3 = { version = "0.26", optional = true }
+numpy = { version = "0.26", optional = true }
+num-dual = { version = "0.12", optional = true }
 
 [features]
 default = []
+## Use generalized (hyper-)dual numbers from the [num-dual] crate as value of a quantity.
+num-dual = ["dep:num-dual", "nalgebra"]
 ## Directly use (scalar) quantities in Python interfaces through [pyo3] and the [si-units](https://pypi.org/project/si-units/) package.
 python = ["pyo3"]
 ## Use scalar and array quantities in Python interfaces through [pyo3], [numpy], and the [si-units](https://pypi.org/project/si-units/) package.
-python_numpy = ["python", "numpy", "ndarray"]
+python_numpy = ["python", "numpy/nalgebra", "ndarray", "nalgebra"]
 ## Enable approximate comparisons through the [approx] crate.
 approx = ["dep:approx", "ndarray?/approx"]

README.md

@@ -15,7 +15,7 @@ Add this to your `Cargo.toml`:
 
 ```
 [dependencies]
-quantity = "0.10"
+quantity = "0.11"
 ```
 
 ## Examples
@@ -24,7 +24,7 @@ Calculate pressure of an ideal gas.
 
 ```rust
 let temperature = 25.0 * CELSIUS;
-let volume = 1.5 * METER.powi(3);
+let volume = 1.5 * METER.powi::<P3>();
 let moles = 75.0 * MOL;
 let pressure = moles * RGAS * temperature / volume;
 println!("{:.5}", pressure);            // 123.94785 kPa
@@ -36,19 +36,19 @@ Calculate the gravitational pull of the moon on the earth.
 let mass_earth = 5.9724e24 * KILOGRAM;
 let mass_moon = 7.346e22 * KILOGRAM;
 let distance = 383.398 * KILO * METER;
-let force = G * mass_earth * mass_moon / distance.powi(2);
+let force = G * mass_earth * mass_moon / distance.powi::<P2>();
 println!("{:.5e}", force);              // 1.99208e26 N
 ```
 
 Calculate the pressure distribution in the atmosphere using the barometric formula.
 
 ```rust
-let z = SIArray1::linspace(1.0 * METER, 70.0 * KILO * METER, 10)?;
-let g = 9.81 * METER / SECOND.powi(2);
+let z = Quantity::linspace(1.0 * METER, 70.0 * KILO * METER, 10);
+let g = 9.81 * METER / SECOND.powi::<P2>();
 let m = 28.949 * GRAM / MOL;
 let t = 10.0 * CELSIUS;
 let p0 = BAR;
-let pressure = p0 * (-&z * m * g).to_reduced(RGAS * t)?.mapv(f64::exp);
+let pressure = ((-z.clone() * m * g) / (RGAS * t)).mapv(f64::exp) * p0;
 for i in 0..10 {
     println!("z = {:8.5}   p = {:9.5}", z.get(i), pressure.get(i));
 }

example/extend_quantity/Cargo.toml

@@ -1,13 +1,14 @@
 [package]
 name = "extend_quantity"
 version = "0.1.0"
-edition = "2021"
+edition = "2024"
 
 [lib]
 name = "extend_quantity"
 crate-type = ["cdylib"]
 
 [dependencies]
-pyo3 = { version = "0.23", features = ["extension-module", "abi3-py39"] }
+pyo3 = { version = "0.26", features = ["extension-module", "abi3-py39"] }
 quantity = { version = "*", path = "../../", features = ["python_numpy"] }
 ndarray = "0.16"
+nalgebra = "0.34"

example/extend_quantity/src/lib.rs

@@ -2,6 +2,7 @@ use pyo3::pymodule;
 
 #[pymodule]
 mod extend_quantity {
+    use nalgebra::{DMatrix, DVector};
     use ndarray::Array1;
     use pyo3::pyfunction;
     use quantity::*;
@@ -34,4 +35,12 @@ mod extend_quantity {
     fn law_of_cosines2(a: Length, b: Length, c: Length) -> Angle {
         Angle::acos((a * a + b * b - c * c).convert_into(2.0 * a * b))
     }
+
+    #[pyfunction]
+    fn test_nalgebra(
+        pressure: Pressure<DMatrix<f64>>,
+        volume: Volume<DVector<f64>>,
+    ) -> Energy<DVector<f64>> {
+        pressure * volume
+    }
 }

example/extend_quantity/test.py

@@ -18,3 +18,14 @@ def test_array():
     >>> ideal_gas_array(T, V, N)
     array([ 826.31900987, 1058.09851279]) Pa
     """
+
+def test_nalgebra():
+    """
+    >>> from extend_quantity import test_nalgebra
+    >>> import si_units as si
+    >>> import numpy as np
+    >>> p = np.array([[1, 2], [3, 4]]) * si.BAR
+    >>> V = np.array([1, 2]) * si.LITER
+    >>> test_nalgebra(p, V)
+    array([ 500., 1100.]) J
+    """

si-units/Cargo.toml

@@ -5,8 +5,8 @@ authors = [
     "Philipp Rehner <prehner@ethz.ch>",
     "Gernot Bauer <bauer@itt.uni-stuttgart.de>",
 ]
-rust-version = "1.81"
-edition = "2021"
+rust-version = "1.87"
+edition = "2024"
 license = "MIT OR Apache-2.0"
 description = "Representation of SI unit valued scalars and arrays."
 homepage = "https://github.com/itt-ustutt/quantity/tree/master/si-units"
@@ -22,7 +22,7 @@ crate-type = ["cdylib"]
 
 [dependencies]
 ndarray = "0.16"
-numpy = "0.23"
-pyo3 = { version = "0.23", features = ["extension-module", "abi3-py39"] }
+numpy = "0.26"
+pyo3 = { version = "0.26", features = ["extension-module", "abi3-py39"] }
 regex = "1.11"
 thiserror = "2.0"

si-units/src/lib.rs

@@ -28,12 +28,12 @@ pub enum QuantityError {
 
 #[pyclass(name = "SIObject", module = "si_units._core", frozen)]
 pub struct PySIObject {
-    value: PyObject,
+    value: Py<PyAny>,
     unit: SIUnit,
 }
 
 impl PySIObject {
-    fn new(value: PyObject, unit: SIUnit) -> Self {
+    fn new(value: Py<PyAny>, unit: SIUnit) -> Self {
         Self { value, unit }
     }
 
@@ -93,7 +93,7 @@ impl PySIObject {
             .ok()
     }
 
-    fn __richcmp__(&self, py: Python, other: &Self, op: CompareOp) -> PyResult<PyObject> {
+    fn __richcmp__(&self, py: Python, other: &Self, op: CompareOp) -> PyResult<Py<PyAny>> {
         self.check_units(other).and_then(|_| match op {
             CompareOp::Eq => self.value.call_method1(py, "__eq__", (&other.value,)),
             CompareOp::Ne => self.value.call_method1(py, "__ne__", (&other.value,)),
@@ -240,7 +240,7 @@ impl PySIObject {
     }
 
     #[getter]
-    fn get_shape(&self, py: Python) -> PyResult<PyObject> {
+    fn get_shape(&self, py: Python) -> PyResult<Py<PyAny>> {
         self.value.getattr(py, "shape")
     }