rdkit.Chem.rdMolHash

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=[]]])