add tests to Selection arguments

m3g · Dec 1, 2023 · e030cd3 · e030cd3
1 parent be64dc3
commit e030cd3
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Showing 2 changed files with 13 additions and 1 deletion.
diff --git a/src/Selection.jl b/src/Selection.jl
@@ -123,3 +123,15 @@ end
 function Base.show(io::IO, s::Selection)
     print(io, "Selection of $(atoms_str(s.natoms)) belonging to $(mol_str(s.nmols)).")
 end
+
+@testitem "Selection - argument errors" begin
+    using ComplexMixtures
+    @test_throws ArgumentError Selection([1,2,3], ["A", "B", "C"])
+    @test_throws ArgumentError Selection(Int[], ["A", "B", "C"]; nmols = 1)
+    @test_throws ArgumentError Selection([1, 2, 3], String[]; nmols = 1)
+    @test_throws ArgumentError Selection([1, 2, 3], String["A", "B"]; nmols = 1)
+    @test_throws ArgumentError Selection([1,2,3], ["A", "B", "C"]; nmols = 2)
+    @test_throws ArgumentError Selection([1,2,3], ["A", "B", "C"]; natomspermol = 2)
+    @test Selection([1,2,3], ["A","B","C"], natomspermol=1) == Selection(3, 3, 1, [1,2,3], [1,2,3], ["A"])
+    @test Selection([1,2,3], ["A","B","C"], nmols=1) == Selection(3, 1, 3, [1,2,3], [1,1,1], ["A","B","C"])
+end
diff --git a/src/compare.jl b/src/compare.jl
@@ -5,7 +5,7 @@ $(INTERNAL)
 Union of types to define comparison operators.
 
 """
-const ComplexMixturesTypes = Union{Result,Density,Volume,SolSummary,Options}
+const ComplexMixturesTypes = Union{Result,Density,Volume,SolSummary,Options,Selection}
 
 """
     Base.isapprox(r1::T, r2::T; debug=false) where T <: CMTypes