Package rdkit :: Package Chem :: Module rdMolHash
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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=[]]])