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c08ea49bda
* - enable building DLLs on Windows * - export.h and test.h are now auto-generated by CMake
32 lines
1.0 KiB
C++
32 lines
1.0 KiB
C++
//
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// Copyright (C) 2003-2010 Greg Landrum and Rational Discovery LLC
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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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#include <RDBoost/export.h>
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#ifndef _RD_SUBSTRUCT_UTILS_H_
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#define _RD_SUBSTRUCT_UTILS_H_
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#include "SubstructMatch.h"
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#include <boost/smart_ptr.hpp>
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namespace RDKit {
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class ROMol;
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class Atom;
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class Bond;
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RDKIT_SUBSTRUCTMATCH_EXPORT double toPrime(const MatchVectType &v);
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RDKIT_SUBSTRUCTMATCH_EXPORT void removeDuplicates(std::vector<MatchVectType> &v, unsigned int nAtoms);
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RDKIT_SUBSTRUCTMATCH_EXPORT bool atomCompat(const Atom* a1, const Atom* a2,
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bool useQueryQueryMatches = false);
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RDKIT_SUBSTRUCTMATCH_EXPORT bool chiralAtomCompat(const Atom* a1, const Atom* a2);
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RDKIT_SUBSTRUCTMATCH_EXPORT bool bondCompat(const Bond* b1, const Bond* b2,
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bool useQueryQueryMatches = false);
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}
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#endif
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