# cycle.h

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    00001 // -*- C++ -*-
    00002
    00003 /*
    00004  * Gnome Chemistry Utils
    00005  * libs/gcu/cycle.h
    00006  *
    00007  * Copyright (C) 2001-2008 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 GCU_CYCLE_H
    00026 #define GCU_CYCLE_H
    00027 #include "chain.h"
    00028
    00030 namespace gcu {
    00031
    00036 class Cycle: public Chain
    00037 {
    00038 public:
    00044         Cycle (Molecule* molecule);
    00048         virtual ~Cycle ();
    00049
    00053         void Simplify ();       //Reduce size of fused cycles
    00061         virtual void Erase (Atom* pAtom1, Atom* pAtom2);
    00070         virtual void Insert (Atom* pAtom1, Atom* pAtom2, Chain& chain);
    00079         bool IsBetterForBonds (Cycle* pCycle);
    00087         void GetAngles2D (Bond *pBond, double* a1, double* a2);
    00091         int GetFusedBonds ();
    00092 };
    00093
    00094 }       //      namespace gcu
    00095
    00096 #endif // GCU_CYCLE_H