Package rdkit :: Package Chem :: Module rdMolHash

Module rdMolHash

Module containing functions to generate a hash/key for molecules

Functions

[hide private]

GenerateMoleculeHashString(...)
GenerateMoleculeHashString( (Mol)mol [, (AtomPairsParameters)atomsToUse=[] [, (AtomPairsParameters)bondsToUse=[]]]) -> str : Generates a hash string for a molecule

Variables

[hide private]

__package__ = None
hash(x)

Function Details

[hide private]

GenerateMoleculeHashString(...)


GenerateMoleculeHashString( (Mol)mol [, (AtomPairsParameters)atomsToUse=[] [, (AtomPairsParameters)bondsToUse=[]]]) -> str :
    Generates a hash string for a molecule

    C++ signature :
        std::string GenerateMoleculeHashString(RDKit::ROMol [,boost::python::api::object=[] [,boost::python::api::object=[]]])