Merge pull request #185 from singularitti:singularitti/issue183

Add tests to `get_error_code`

test/error.jl

@@ -0,0 +1,38 @@
+using Spglib:
+    SUCCESS,
+    SPACEGROUP_SEARCH_FAILED,
+    NIGGLI_FAILED,
+    DELAUNAY_FAILED,
+    CELL_STANDARDIZATION_FAILED,
+    ATOMS_TOO_CLOSE,
+    get_error_code
+
+@testset "Test when no error occurs" begin
+    lattice = [[0.0, 0.5, 0.5], [0.5, 0.0, 0.5], [0.5, 0.5, 0.0]] * 5.4
+    positions = [[0.875, 0.875, 0.875], [0.125, 0.125, 0.125]]
+    atoms = [1, 1]
+    cell = Cell(lattice, positions, atoms)
+    get_dataset(cell, 1e-5)
+    @test get_error_code() == SUCCESS
+end
+
+@testset "Test error types" begin
+    lattice = Lattice([[0.5, 0.5, 0.0], [0.5, 0.0, 0.5], [0.5, 0.5, 0.0]] * 5.4)
+    positions = [[0.875, 0.875, 0.875], [0.125, 0.125, 0.125]]
+    atoms = [1, 1]
+    cell = Cell(lattice, positions, atoms)
+    @test_throws SpglibError get_dataset(cell, 1e-5)
+    @test get_error_code() == SPACEGROUP_SEARCH_FAILED
+    @test_throws SpglibError niggli_reduce(cell, 1e-5)
+    @test get_error_code() == NIGGLI_FAILED
+    @test_throws SpglibError delaunay_reduce(cell, 1e-5)
+    @test get_error_code() == DELAUNAY_FAILED
+    @test_throws SpglibError standardize_cell(cell, 1e-5)
+    @test get_error_code() == CELL_STANDARDIZATION_FAILED
+    @testset "Test when atoms are too close" begin
+        positions = [[0.875, 0.875, 0.875], [0.875 + eps(), 0.875, 0.875]]
+        cell = Cell(lattice, positions, atoms)
+        @test_throws SpglibError get_dataset(cell, 1e-5)
+        @test get_error_code() == ATOMS_TOO_CLOSE
+    end
+end

test/runtests.jl

@@ -9,4 +9,5 @@ using Test
     include("reciprocal.jl")
     include("reduce.jl")
     include("symmetry.jl")
+    include("error.jl")
 end

test/standardize.jl

@@ -1,4 +1,4 @@
-using Spglib: SpglibError
+using Spglib: SPACEGROUP_SEARCH_FAILED, SpglibError, get_error_code
 
 # This example is from https://spglib.github.io/spglib/definition.html#transformation-to-a-primitive-cell
 @testset "Transformation to a primitive cell" begin
@@ -147,5 +147,7 @@ end
     atoms = ["Na", "Na", "Cl"]
     cell = Cell(lattice, positions, atoms)
     @test_throws SpglibError find_primitive(cell)
+    @test get_error_code() == SPACEGROUP_SEARCH_FAILED
     @test_throws SpglibError standardize_cell(cell, to_primitive=true)
+    @test get_error_code() == SPACEGROUP_SEARCH_FAILED
 end