// // Copyright (C) 2014 Novartis Institutes for BioMedical Research // // @@ All Rights Reserved @@ // This file is part of the RDKit. // The contents are covered by the terms of the BSD license // which is included in the file license.txt, found at the root // of the RDKit source tree. // #pragma once #include #include "FMCS.h" #include "Graph.h" #include "MatchTable.h" namespace RDKit { namespace FMCS { typedef std::vector > match_V_t; bool SubstructMatchCustomTable(const FMCS::Graph& target, const FMCS::Graph & query, const MatchTable& atomMatchTable, const MatchTable& bondMatchTable, match_V_t* match=0); bool SubstructMatchCustom ( const FMCS::Graph& target, const ROMol& mol , const FMCS::Graph& query, const ROMol& querySrc // seed and full source query molecules , MCSAtomCompareFunction atomCompare, MCSBondCompareFunction bondCompare , const MCSAtomCompareParameters& acp , const MCSBondCompareParameters& bcp , void* user_data , match_V_t* match=0 ); } }