ring_finder.hh

Go to the documentation of this file.

//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2020 by the OpenStructure authors
//
// This library is free software; you can redistribute it and/or modify it under
// the terms of the GNU Lesser General Public License as published by the Free
// Software Foundation; either version 3.0 of the License, or (at your option)
// any later version.
// This library is distributed in the hope that it will be useful, but WITHOUT
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
// FOR A PARTICULAR PURPOSE.  See the GNU Lesser General Public License for more
// details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
//------------------------------------------------------------------------------
#ifndef OST_CONOP_RING_FINDER_HH
#define OST_CONOP_RING_FINDER_HH
 
/*
   Author: Tobias Schmidt
 */
 
#include <ost/conop/module_config.hh>
#include <ost/mol/entity_handle.hh>
#include <ost/mol/entity_view.hh>
#include <map>
 
namespace ost { namespace conop {
 
class DLLEXPORT_OST_CONOP RingFinder {
public:
  RingFinder(mol::EntityHandle &eh);
public:
 
  void PerceiveRings();
 
  mol::EntityView GetRings();
 
  int GetRingAtomCount();
 
  int GetRingBondCount();
 
  bool RingsPerceived();
 
private:
  int VisitNext(mol::AtomHandle &curr, mol::AtomHandle &prev,
                std::map<long int,bool> &ring_closings);
  mol::EntityHandle ent_;
  mol::EntityView ring_view_;
  bool rings_perceived_;
};
 
}}
 
#endif