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46 lines
1.1 KiB
C++
46 lines
1.1 KiB
C++
//
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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 <stdexcept>
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#include "../RDKitBase.h"
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#include "Graph.h"
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#include "MatchTable.h"
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#include "DebugTrace.h" // algorithm filter definitions
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namespace RDKit
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{
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namespace FMCS
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{
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#ifdef xxFAST_INCREMENTAL_MATCH //unused and works fast without it
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struct AtomAdjacency
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{
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const Bond* Bond;
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unsigned BondIdx;
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unsigned ConnectedAtomIdx; // another end on the bond
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};
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typedef std::vector<AtomAdjacency> AtomAdjacencyList;
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#endif // FAST_INCREMENTAL_MATCH
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struct Target
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{
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const ROMol* Molecule;
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Graph Topology;
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#ifdef PRECOMPUTED_TABLES_MATCH
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MatchTable AtomMatchTable;
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MatchTable BondMatchTable;
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#endif
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#ifdef xxFAST_INCREMENTAL_MATCH
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std::vector<AtomAdjacencyList> AtomAdjacency;
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#endif
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};
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}
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}
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