@@ -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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