Exemple #1
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def test_special_species(SPECIAL_SPECIES_STRUCTURES):
    """Make sure vacancies and non-chemical symbols ("X") are handled"""
    for special_structure in SPECIAL_SPECIES_STRUCTURES:
        structure = Structure(special_structure)

        assert isinstance(get_cif(structure), str)
Exemple #2
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def test_null_positions(null_position_structure):
    """Make sure null positions are handled"""
    assert isinstance(get_cif(null_position_structure), str)
Exemple #3
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def test_null_lattice_vectors(null_lattice_vector_structure):
    """Make sure null lattice vectors are handled"""
    assert isinstance(get_cif(null_lattice_vector_structure), str)
Exemple #4
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def test_successful_conversion(RAW_STRUCTURES):
    """Make sure its possible to convert"""
    for structure in RAW_STRUCTURES:
        assert isinstance(get_cif(Structure(structure)), str)