def null_position_structure(raw_structure) -> Structure:
"""Create and return adapters.Structure with sites that have None values"""
raw_structure["attributes"]["cartesian_site_positions"][0] = [None] * 3
if "structure_features" in raw_structure["attributes"]:
if "unknown_positions" not in raw_structure["attributes"][
"structure_features"]:
raw_structure["attributes"]["structure_features"].append(
"unknown_positions")
else:
raw_structure["attributes"]["structure_feature"] = [
"unknown_positions"
]
return Structure(raw_structure)
def null_lattice_vector_structure(raw_structure) -> Structure:
"""Create and return adapters.Structure with lattice_vectors that have None values"""
raw_structure["attributes"]["lattice_vectors"][0] = [None] * 3
raw_structure["attributes"]["dimension_types"][0] = 0
raw_structure["attributes"]["nperiodic_dimensions"] = 2
return Structure(raw_structure)
def structures(RAW_STRUCTURES) -> List[Structure]:
"""Create and return list of adapters.Structure"""
return [Structure(_) for _ in RAW_STRUCTURES]
def structure(raw_structure) -> Structure:
"""Create and return adapters.Structure"""
return Structure(raw_structure)
def null_species_structure(raw_structure) -> Structure:
raw_structure["attributes"]["species"] = None
return Structure(raw_structure)