Make an extension for PeriodicTable.jl

Project.toml

@@ -14,6 +14,12 @@ Parameters = "d96e819e-fc66-5662-9728-84c9c7592b0a"
 UnicodeFun = "1cfade01-22cf-5700-b092-accc4b62d6e1"
 WignerSymbols = "9f57e263-0b3d-5e2e-b1be-24f2bb48858b"
 
+[weakdeps]
+PeriodicTable = "7b2266bf-644c-5ea3-82d8-af4bbd25a884"
+
+[extensions]
+PeriodicTableExt = "PeriodicTable"
+
 [compat]
 BlockArrays = "1"
 BlockBandedMatrices = "0.8, 0.9, 0.10, 0.11, 0.12, 0.13"
@@ -22,14 +28,16 @@ FillArrays = "1"
 Format = "1.3"
 HalfIntegers = "1"
 Parameters = "0.12"
+PeriodicTable = "1"
 UnicodeFun = "0.4"
 WignerSymbols = "1, 2"
 julia = "1.6"
 
 [extras]
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
+PeriodicTable = "7b2266bf-644c-5ea3-82d8-af4bbd25a884"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
 
 [targets]
-test = ["Test", "LinearAlgebra", "Random"]
+test = ["Test", "LinearAlgebra", "Random", "PeriodicTable"]

ext/PeriodicTableExt.jl

@@ -0,0 +1,13 @@
+module PeriodicTableExt
+
+using AtomicLevels
+using PeriodicTable
+
+AtomicLevels.Configuration(element::Element) = sort(parse(Configuration{Orbital}, element.el_config))
+
+function AtomicLevels.Configuration(element::Element, states::Vector{Symbol})
+    config = Configuration(element)
+    return Configuration(config.orbitals, config.occupancy, states)
+end
+
+end

test/runtests.jl

@@ -19,3 +19,13 @@ include("couple_terms.jl")
 include("csfs.jl")
 include("levels.jl")
 include("jj2lsj.jl")
+
+using PeriodicTable
+
+@testset "PeriodicTable extension" begin
+    @test Configuration(elements[:Ne], [:closed, :closed, :closed]) == parse(Configuration{Orbital}, "[Ne]")
+    c1 = Configuration(elements[:Xe])
+    c2 = parse(Configuration{Orbital}, "[Xe]")
+    @test c1.orbitals == c2.orbitals
+    @test c1.occupancy == c2.occupancy
+end