def cif_import(filename): """Import .cif file into CifData object.""" from aiida.orm import CifData try: node, _ = CifData.get_or_create(filename) echo.echo_success('imported {}'.format(str(node))) except ValueError as err: echo.echo_critical(err)
def _generate_structure_cif(cif_filepath): """Return a `StructureData` from a cif file.""" from aiida.orm import CifData structure = CifData.get_or_create(cif_filepath)[0].get_structure() return structure