source: src/Graph/BuildInducedSubgraph.hpp@ 6ef48c

/*
 * BuildInducedSubgraph.hpp
 *
 *  Created on: Mar 3, 2011
 *      Author: heber
 */

#ifndef BUILDINDUCEDSUBGRAPH_HPP_
#define BUILDINDUCEDSUBGRAPH_HPP_

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include <map>

class atom;
class molecule;

class BuildInducedSubgraph
{
public:
  BuildInducedSubgraph(molecule * const _Son, const molecule * const _Father);
  ~BuildInducedSubgraph();

  /** Adds bond structure to this molecule from \a Father molecule.
   * This basically causes this molecule to become an induced subgraph of the \a Father, i.e. for every bond in Father
   * with end points present in this molecule, bond is created in this molecule.
   * Special care was taken to ensure that this is of complexity O(N), where N is the \a Father's molecule::AtomCount.
   * \param *Father father molecule
   * \return true - is induced subgraph, false - there are atoms with fathers not in \a Father
   * \todo not checked, not fully working probably
   */
  bool operator()();


private:
  std::map<atom *, atom*> ParentList;
  molecule * const Son;
  const molecule * const Father;

  void FillParentList();
  bool CreateBondsFromParent();
};

#endif /* BUILDINDUCEDSUBGRAPH_HPP_ */