def test_null_lattice_vectors(null_lattice_vector_structure):
"""Make sure null lattice vectors are handled
This also respresents a test for successful conversion to pymatgen Molecule
"""
assert isinstance(_get_molecule(null_lattice_vector_structure), Molecule)
assert isinstance(get_pymatgen(null_lattice_vector_structure), Molecule)
def test_null_species(null_species_structure):
"""Make sure null species are handled"""
assert isinstance(get_pymatgen(null_species_structure), PymatgenStructure)
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_pymatgen(structure), PymatgenStructure)
def test_successful_conversion_structure(structure):
"""Make sure its possible to convert to pymatgen Structure"""
assert isinstance(_get_structure(structure), PymatgenStructure)
assert isinstance(get_pymatgen(structure), PymatgenStructure)
def test_successful_conversion(RAW_STRUCTURES):
"""Make sure its possible to convert"""
for structure in RAW_STRUCTURES:
assert isinstance(get_pymatgen(Structure(structure)),
(PymatgenStructure, Molecule))
def test_null_positions(null_position_structure):
"""Make sure null positions are handled"""
assert isinstance(get_pymatgen(null_position_structure), PymatgenStructure)
assert isinstance(_get_structure(null_position_structure),
PymatgenStructure)
assert isinstance(_get_molecule(null_position_structure), Molecule)