molvs/standardize.py
def enumerate_tautomers_smiles(smiles):
    """Return a set of tautomers as SMILES strings, given a SMILES string.

    :param smiles: A SMILES string.
    :returns: A set containing SMILES strings for every possible tautomer.
    :rtype: set of strings.
    """
    # Skip sanitize as standardize does this anyway
    mol = Chem.MolFromSmiles(smiles, sanitize=False)
    mol = Standardizer().standardize(mol)
    tautomers = TautomerEnumerator().enumerate(mol)
    return {Chem.MolToSmiles(m, isomericSmiles=True) for m in tautomers}
def enumerate_tautomers_smiles(smiles):
    # Skip sanitize as standardize does this anyway
    mol = Chem.MolFromSmiles(smiles, sanitize=False)
    mol = Standardizer().standardize(mol)
    tautomers = TautomerEnumerator().enumerate(mol)
    return {Chem.MolToSmiles(m, isomericSmiles=True) for m in tautomers}
def enumerate_tautomers_smiles ( smiles ) : # Skip sanitize as standardize does this anyway mol = Chem . MolFromSmiles ( smiles , sanitize = False ) mol = Standardizer ( ) . standardize ( mol ) tautomers = TautomerEnumerator ( ) . enumerate ( mol ) return { Chem . MolToSmiles ( m , isomericSmiles = True ) for m in tautomers }
Return a set of tautomers as SMILES strings, given a SMILES string.

    :param smiles: A SMILES string.
    :returns: A set containing SMILES strings for every possible tautomer.
    :rtype: set of strings.
Return a set of tautomers as SMILES strings given a SMILES string .