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Recude chance of errors in SpaceGroup repr test
Signed-off-by: Håkon Wiik Ånes <[email protected]>
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src/diffpy/structure/tests/testspacegroups.py

Lines changed: 34 additions & 24 deletions
Original file line numberDiff line numberDiff line change
@@ -88,30 +88,40 @@ def test__hashSymOpList(self):
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def test_spacegroup_representation(self):
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"""Verify SpaceGroup.__repr__()."""
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numbers = [1, 3, 16, 75, 143, 168, 229]
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short_names = ["P1", "P2", "P222", "P4", "P3", "P6", "Im-3m"]
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systems = [
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"Triclinic",
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"Monoclinic",
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"Orthorhombic",
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"Tetragonal",
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"Trigonal",
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"Hexagonal",
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"Cubic",
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]
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n_symmetry_matrices = [1, 2, 4, 4, 3, 6, 96]
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n_point_symmetry_matrices = [1, 2, 4, 4, 3, 6, 48]
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sg_dict = dict(zip(
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numbers,
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zip(short_names, systems, n_symmetry_matrices, n_point_symmetry_matrices)
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))
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for key, value in sg_dict.items():
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sg = GetSpaceGroup(key)
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expected_str = (
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"SpaceGroup #%i (%s, %s). Symmetry matrices: %i, "
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"point sym. matr.: %i"
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) % ((key,) + value)
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self.assertEqual(sg.__repr__(), expected_str)
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self.assertEqual(
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repr(GetSpaceGroup(1)),
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"SpaceGroup #1 (P1, Triclinic). Symmetry matrices: 1, point sym. matr.: 1"
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)
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self.assertEqual(
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repr(GetSpaceGroup(3)),
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"SpaceGroup #3 (P2, Monoclinic). Symmetry matrices: 2, point sym. matr.: 2"
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)
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self.assertEqual(
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repr(GetSpaceGroup(16)),
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(
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"SpaceGroup #16 (P222, Orthorhombic). Symmetry matrices: 4, point sym. "
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"matr.: 4"
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)
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)
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self.assertEqual(
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repr(GetSpaceGroup(75)),
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"SpaceGroup #75 (P4, Tetragonal). Symmetry matrices: 4, point sym. matr.: 4"
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)
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self.assertEqual(
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repr(GetSpaceGroup(143)),
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"SpaceGroup #143 (P3, Trigonal). Symmetry matrices: 3, point sym. matr.: 3"
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)
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self.assertEqual(
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repr(GetSpaceGroup(168)),
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"SpaceGroup #168 (P6, Hexagonal). Symmetry matrices: 6, point sym. matr.: 6"
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)
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self.assertEqual(
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repr(GetSpaceGroup(229)),
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(
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"SpaceGroup #229 (Im-3m, Cubic). Symmetry matrices: 96, point sym. "
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"matr.: 48"
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)
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)
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return
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# End of class TestRoutines

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