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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.
//
#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;
typedef boost::shared_ptr<Atom> ATOM_SPTR;
typedef boost::shared_ptr<Bond> BOND_SPTR;
double toPrime(const MatchVectType &v);
void removeDuplicates(std::vector<MatchVectType> &v, unsigned int nAtoms);
bool atomCompat(const ATOM_SPTR &a1, const ATOM_SPTR &a2,
bool useQueryQueryMatches = false);
bool chiralAtomCompat(const ATOM_SPTR &a1, const ATOM_SPTR &a2);
bool bondCompat(const BOND_SPTR &b1, const BOND_SPTR &b2,
bool useQueryQueryMatches = false);
}
#endif
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