00001 //------------------------------------------------------------------------------ 00002 // This file is part of the OpenStructure project <www.openstructure.org> 00003 // 00004 // Copyright (C) 2008-2010 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/mol.hh> 00028 #include <map> 00029 00030 namespace ost { namespace conop { 00031 00039 class DLLEXPORT_OST_CONOP RingFinder { 00040 public: 00041 RingFinder(mol::EntityHandle &eh); 00042 public: 00043 00051 void PerceiveRings(); 00052 00055 mol::EntityView GetRings(); 00056 00058 int GetRingAtomCount(); 00059 00061 int GetRingBondCount(); 00062 00064 bool RingsPerceived(); 00065 00066 private: 00067 int VisitNext(mol::AtomHandle &curr, mol::AtomHandle &prev, 00068 std::map<long int,bool> &ring_closings); 00069 mol::EntityHandle ent_; 00070 mol::EntityView ring_view_; 00071 bool rings_perceived_; 00072 }; 00073 00074 }} 00075 00076 #endif
1.5.8