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36 lines
1.2 KiB
C++
36 lines
1.2 KiB
C++
// $Id$
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//
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// Copyright (C) 2014 Novartis Institutes for BioMedical Research
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#pragma once
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#include <vector>
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#include "FMCS.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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