rxn.chemutils.miscellaneous.equivalent_smiles
- rxn.chemutils.miscellaneous.equivalent_smiles(*smiles, check_valence=False)[source]
Returns true if all the given SMILES strings are equivalent. Will catch the exceptions for invalid SMILES and return false in that case.
- Parameters
smiles (
str) – multiple SMILES to check for equivalence.check_valence (
bool, default:False) – if True, molecules with invalid valence will be invalidated.
- Return type
bool