def test_from_file(self, filepath, compute2d):
"""
Test if input produces an RDKit molecule.
"""
rmol = Rdkit.from_file(filepath, compute2d)
self._rdkit_format_tests(rmol)
def to_rdkit(self,
structure_klifs_id_or_filepath,
entity="complex",
extension="mol2",
compute2d=True): # pylint: disable=W0221
filepath = self._to_filepath(structure_klifs_id_or_filepath, entity,
extension)
rdkit_mol = Rdkit.from_file(filepath, compute2d)
return rdkit_mol