chem3ddoc.h

00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemistry Utils
00005  * gcu/chem3ddoc.h
00006  *
00007  * Copyright (C) 2006-2007 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 GCU_CHEM3D_DOCUMENT_H
00026 #define GCU_CHEM3D_DOCUMENT_H
00027 
00028 #include <gcu/macros.h>
00029 #include <gcu/gldocument.h>
00030 #include <openbabel/mol.h>
00031 
00032 using namespace OpenBabel;
00033 
00034 namespace gcu {
00035 
00045 typedef enum
00046 {
00047         BALL_AND_STICK,
00048         SPACEFILL
00049 } Display3DMode;
00050 
00051 class Application;
00052 
00058 class Chem3dDoc: public GLDocument
00059 {
00060 public:
00064         Chem3dDoc ();
00069         Chem3dDoc (Application *App, GLView *View);
00073         virtual ~Chem3dDoc ();
00074 
00078         void Draw ();
00079 
00083         bool IsEmpty () {return m_Mol.NumAtoms () == 0;}
00084 
00091         void Load (char const *uri, char const *mime_type);
00092 
00099         void LoadData (char const *data, char const *mime_type);
00100 
00104         const char *GetTitle () {return m_Mol.GetTitle ();}
00105 
00111         void OnExportVRML (string const &filename);
00112 
00113 private:
00114         OBMol m_Mol;
00115 
00127 GCU_PROP (Display3DMode, Display3D);
00128 };
00129 
00130 }       // namespace gcu
00131 
00132 #endif  //      GCU_CHEM3D_DOCUMENT_H

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