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27 lines
933 B
C++
27 lines
933 B
C++
#pragma once
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#include <vector>
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#include "FMCS.h"
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#include "Seed.h"
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#include "Graph.h"
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#include "MatchTable.h"
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namespace RDKit
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{
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namespace FMCS
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{
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typedef std::vector<std::pair<FMCS::Graph::vertex_descriptor, FMCS::Graph::vertex_descriptor> > match_V_t;
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bool SubstructMatchCustomTable(const FMCS::Graph& target, const FMCS::Graph & query,
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const MatchTable& atomMatchTable, const MatchTable& bondMatchTable, match_V_t* match=0);
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bool SubstructMatchCustom
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( const FMCS::Graph& target, const ROMol& mol
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, const FMCS::Graph& query, const ROMol& querySrc // seed and full source query molecules
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, MCSAtomCompareFunction atomCompare, MCSBondCompareFunction bondCompare
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, const MCSAtomCompareParameters& acp
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, const MCSBondCompareParameters& bcp
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, void* user_data
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, match_V_t* match=0
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);
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}}
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