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get_occupancies test and func
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tests/test_structure.py

Lines changed: 7 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -678,9 +678,13 @@ def test_get_isotropic_displacement_parameters(datafile):
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assert numpy.allclose(actual_isotropic_displacement, expected_isotropic_displacement)
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# def test_get_occupancies(datafile):
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# """Check Structure.get_occupancies()"""
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# assert False
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def test_get_occupancies(datafile):
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"""Check Structure.get_occupancies()"""
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pbte_stru = Structure(filename=datafile("PbTe.cif"))
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actual_occupancies = pbte_stru.get_occupancies()
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expected_occupancies = numpy.ones(8)
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assert numpy.allclose(actual_occupancies, expected_occupancies)
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# def test_convert_ase_to_diffpy_structure(datafile):
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# """Check convert_ase_to_diffpy_structure()"""

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