00001 //------------------------------------------------------------------------------ 00002 // This file is part of the OpenStructure project <www.openstructure.org> 00003 // 00004 // Copyright (C) 2008-2011 by the OpenStructure authors 00005 // 00006 // This library is free software; you can redistribute it and/or modify it under 00007 // the terms of the GNU Lesser General Public License as published by the Free 00008 // Software Foundation; either version 3.0 of the License, or (at your option) 00009 // any later version. 00010 // This library is distributed in the hope that it will be useful, but WITHOUT 00011 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS 00012 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more 00013 // details. 00014 // 00015 // You should have received a copy of the GNU Lesser General Public License 00016 // along with this library; if not, write to the Free Software Foundation, Inc., 00017 // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA 00018 //------------------------------------------------------------------------------ 00019 #ifndef OST_CONOP_RING_FINDER_HH 00020 #define OST_CONOP_RING_FINDER_HH 00021 00022 /* 00023 Author: Tobias Schmidt 00024 */ 00025 00026 #include <ost/conop/module_config.hh> 00027 #include <ost/mol/entity_handle.hh> 00028 #include <ost/mol/entity_view.hh> 00029 #include <map> 00030 00031 namespace ost { namespace conop { 00032 00040 class DLLEXPORT_OST_CONOP RingFinder { 00041 public: 00042 RingFinder(mol::EntityHandle &eh); 00043 public: 00044 00052 void PerceiveRings(); 00053 00056 mol::EntityView GetRings(); 00057 00059 int GetRingAtomCount(); 00060 00062 int GetRingBondCount(); 00063 00065 bool RingsPerceived(); 00066 00067 private: 00068 int VisitNext(mol::AtomHandle &curr, mol::AtomHandle &prev, 00069 std::map<long int,bool> &ring_closings); 00070 mol::EntityHandle ent_; 00071 mol::EntityView ring_view_; 00072 bool rings_perceived_; 00073 }; 00074 00075 }} 00076 00077 #endif