OEGetMatchedMolecularPairs

OEGetMatchedMolecularPairs(mmpindex: OEMatchedPairAnalyzer,
                           molID: int,
                           extractOpts: OEMatchedPairTransformExtractOptions = OEMatchedPairTransformExtractOptions()) -> Iterable[OEMatchedPair]
OEGetMatchedMolecularPairs(mmpindex: OEMatchedPairAnalyzer,
                           probe: Union[OEGraphMol,OEMol,OEQMol],
                           probeAttachSites: OEAtomBondSet,
                           extractOpts: OEMatchedPairTransformExtractOptions = OEMatchedPairTransformExtractOptions()) -> Iterable[OEMatchedPair]

The first function returns the matched pairs associated with a specific molecule ID in the OEMatchedPairAnalyzer index.

The second overloaded function returns matched molecular pairs related to changes at specific substitution point(s) on the provided probe structure. Additionally, any *atoms (atomic number 0) on the probe structure can be used to indicate the site(s) that are open valences and which can be arbitrarily substituted.