插个眼,也是rdkit时遇到了Boost.Python.ArgumentError: Python argument types in
rdkit.Chem.rdmolops.RDKFingerprint(int)
did not match C++ signature:
RDKFingerprint(class RDKit::ROMol mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=2, bool useHs=True, double tgtDensity=0.0, unsigned int minSize=128, bool branchedPaths=True, bool useBondOrder=True, class boost::python::api::object atomInvariants=0, class boost::python::api::object fromAtoms=0, class boost::python::api::object atomBits=None, class boost::python::api::object bitInfo=None)