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OEMCSSearch()
Default constructor.
OEMCSSearch(const char *smarts)
Construct an instance of an OEMCSSearch object using a SMARTS pattern. The SMARTS pattern is parsed into a query molecule (OEQMolBase).
OEMCSSearch(const OEQMolBase &qmol)
Construct an instance of an OEMCSSearch object using a query molecule.
OEMCSSearch(const OEMolBase &mol, unsigned int a, unsigned int b)
Construct an instance of an OEMCSSearch object using a molecule and expression options. The atom and bond expression options passed as the second and third arguments to the method are defined in the OEExprOpts namespace. The expression options are used to convert the atom and bond data into expression trees which are used during the common subgraph search.
OEMCSSearch(const OEMCSSearch &mcs)
Copy constructor. Copies the contents of the passed OEMCSSearch object into a newly constructed OEMCSSearch instance.
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