The Gnome Chemistry Utils 0.13.3
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00001 // -*- C++ -*- 00002 00003 /* 00004 * GChemPaint library 00005 * fragment-atom.h 00006 * 00007 * Copyright (C) 2003-2009 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_FRAGMENT_ATOM_H 00026 #define GCHEMPAINT_FRAGMENT_ATOM_H 00027 00028 #include "atom.h" 00029 #include <gcu/macros.h> 00030 00032 namespace gcp { 00033 00034 class Fragment; 00035 class View; 00036 00040 class FragmentAtom: public Atom 00041 { 00042 public: 00046 FragmentAtom (); 00054 FragmentAtom (Fragment *fragment, int Z); 00058 virtual ~FragmentAtom (); 00059 00065 void SetZ (int Z); 00073 bool AcceptNewBonds (int nb); 00077 void Update (); 00081 void AddItem (); 00085 void UpdateItem (); 00092 void SetSelected (int state); 00099 xmlNodePtr Save (xmlDocPtr xml) const; 00107 bool Load (xmlNodePtr node); 00120 gccv::Anchor GetChargePosition (unsigned char& Pos, double Angle, double& x, double& y); 00130 int GetAvailablePosition (double& x, double& y); 00140 bool GetPosition (double angle, double& x, double& y); 00147 bool AcceptCharge (int charge); 00148 00154 void AddToMolecule (Molecule* Mol); 00165 bool Match (gcu::Atom *atom, gcu::AtomMatchState &state); 00171 void DoBuildSymbolGeometry (View *pView); 00172 00176 GCU_RO_POINTER_PROP (Fragment, Fragment) 00177 }; 00178 00179 } // namespace gcp 00180 00181 #endif // GCHEMPAINT_FRAGMENT_ATOM_H