if skip_bad_mols and mol is None:
continue // add warning with number of skipped molecules
if usecols:
mol_data = dict((k, v) for k, v in mol.data.items() if k in usecols)
else:
mol_data = dict(mol.data)
if molecule_column:
After Change
if "opt" in kwargs:
reader_kwargs["opt"] = kwargs.pop("opt")
if "sanitize" in kwargs:
reader_kwargs["sanitize"] = kwargs.pop("sanitize")
chunk = []
for n, mol in enumerate(oddt.toolkit.readfile(fmt, filepath_or_buffer, **reader_kwargs)):
if skip_bad_mols and mol is None: