def calcfp(self, fptype="rdkit", opt=None):
        if opt == None:
            opt = {}
        fptype = fptype.lower()
        if fptype=="rdkit":
            fp = Fingerprint(Chem.RDKFingerprint(self.Mol))
        elif fptype=="layered":
            fp = Fingerprint(Chem.LayeredFingerprint(self.Mol))
        elif fptype=="maccs":
            fp = Fingerprint(Chem.MACCSkeys.GenMACCSKeys(self.Mol))
        elif fptype=="atompairs":
            # Going to leave as-is. See Atom Pairs documentation.
            fp = Chem.AtomPairs.Pairs.GetAtomPairFingerprintAsIntVect(self.Mol)
        elif fptype=="torsions":
            # Going to leave as-is.
            fp = Chem.AtomPairs.Torsions.GetTopologicalTorsionFingerprintAsIntVect(self.Mol)
        elif fptype == "morgan":
            info = opt.get('bitInfo', None)
            radius = opt.get('radius', 4)
            fp = Fingerprint(Chem.rdMolDescriptors.GetMorganFingerprintAsBitVect(self.Mol,radius,bitInfo=info))
        elif fptype == "pharm2d":
            fp = Fingerprint(Generate.Gen2DFingerprint(self.Mol,Gobbi_Pharm2D.factory))
        else:
            raise ValueError, "%s is not a recognised RDKit Fingerprint type" % fptype
        return fp
Calculate a molecular fingerprint.
dataset/ETHPy150Open oddt/oddt/oddt/toolkits/rdk.py/Molecule.calcfp