FeatTreeUtils.h

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//
//  Copyright (C) 2005-2006 Rational Discovery LLC
//
//   @@ All Rights Reserved  @@
//
/*! \file FeatTreeUtils.h

  \brief No user-serviceable parts inside

  This functionality is used in the construction of feature trees
  from molecules. It's exposed here so that it can be tested.

*/
#ifndef _RD_FEATTREEUTILS_H_
#define _RD_FEATTREEUTILS_H_

#include "FeatTree.h"
#include <vector>

namespace RDKit {
  typedef std::vector<int> INT_VECT;
  class ROMol;
  namespace FeatTrees {
    void addRingsAndConnectors(const ROMol &mol,FeatTreeGraph &featGraph);
    void addRingRingBonds(const ROMol &mol,FeatTreeGraph &featGraph);
    std::vector<unsigned int> addNonringAtoms(const ROMol &mol,FeatTreeGraph &featGraph);
    void addBondsFromNonringAtoms(const ROMol &mol,FeatTreeGraph &featGraph,
                                  std::vector<unsigned int> &atomIndices);
    void addZeroNodes(FeatTreeGraph &featGraph);
    void replaceCycles(FeatTreeGraph &featGraph);
  }
}
#endif

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