00001 // -*- C++ -*- 00002 00003 /* 00004 * GChemPaint library 00005 * cycle.h 00006 * 00007 * Copyright (C) 2001-2007 Jean Bréfort <jean.brefort@normalesup.org> 00008 * 00009 * This program is free software; you can redistribute it and/or 00010 * modify it under the terms of the GNU General Public License as 00011 * published by the Free Software Foundation; either version 2 of the 00012 * License, or (at your option) any later version. 00013 * 00014 * This program is distributed in the hope that it will be useful, 00015 * but WITHOUT ANY WARRANTY; without even the implied warranty of 00016 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00017 * GNU General Public License for more details. 00018 * 00019 * You should have received a copy of the GNU General Public License 00020 * along with this program; if not, write to the Free Software 00021 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 00022 * USA 00023 */ 00024 00025 #ifndef GCHEMPAINT_CYCLE_H 00026 #define GCHEMPAINT_CYCLE_H 00027 #include "chain.h" 00028 00029 namespace gcp { 00030 00031 class Cycle: public Chain 00032 { 00033 public: 00034 Cycle (Molecule* Molecule); 00035 virtual ~Cycle (); 00036 00037 void Simplify (); //Reduce size of fused cycles 00038 virtual void Erase (Atom* pAtom1, Atom* pAtom2); 00039 virtual void Insert (Atom* pAtom1, Atom* pAtom2, Chain& Chain); 00040 bool IsBetterForBonds (Cycle* pCycle); 00041 void GetAngles2D (Bond *pBond, double* a1, double* a2); 00042 int GetFusedBonds (); 00043 }; 00044 00045 } // namespace gcp 00046 00047 #endif // GCHEMPAINT_CYCLE_H