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//
// Copyright (C) 2003-2010 Greg Landrum and Rational Discovery LLC
//
// @@ 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.
//
#include <RDGeneral/export.h>
#ifndef _RD_SUBSTRUCT_UTILS_H_
#define _RD_SUBSTRUCT_UTILS_H_
#include "SubstructMatch.h"
#include <boost/smart_ptr.hpp>
namespace RDKit {
class ROMol;
class Atom;
class Bond;
RDKIT_SUBSTRUCTMATCH_EXPORT double toPrime(const MatchVectType &v);
RDKIT_SUBSTRUCTMATCH_EXPORT void removeDuplicates(std::vector<MatchVectType> &v, unsigned int nAtoms);
RDKIT_SUBSTRUCTMATCH_EXPORT bool atomCompat(const Atom* a1, const Atom* a2,
bool useQueryQueryMatches = false);
RDKIT_SUBSTRUCTMATCH_EXPORT bool chiralAtomCompat(const Atom* a1, const Atom* a2);
RDKIT_SUBSTRUCTMATCH_EXPORT bool bondCompat(const Bond* b1, const Bond* b2,
bool useQueryQueryMatches = false);
}
#endif
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