chem3ddoc.h

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00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemistry Utils
00005  * gcu/chem3ddoc.h
00006  *
00007  * Copyright (C) 2006-2008 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_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 
00033 namespace gcu {
00034 
00045 typedef enum
00046 {
00047         BALL_AND_STICK,
00048         SPACEFILL,
00049         CYLINDERS,
00050         WIREFRAME
00051 } Display3DMode;
00052 
00053 class Application;
00054 class Matrix;
00055 
00061 class Chem3dDoc: public GLDocument
00062 {
00063 public:
00067         Chem3dDoc ();
00072         Chem3dDoc (Application *App, GLView *View);
00076         virtual ~Chem3dDoc ();
00077 
00083         void Draw (Matrix const &m) const;
00084 
00088         bool IsEmpty () {return m_Mol.NumAtoms () == 0;}
00089 
00096         void Load (char const *uri, char const *mime_type);
00097 
00104         void LoadData (char const *data, char const *mime_type);
00105 
00109         const char *GetTitle () {return m_Mol.GetTitle ();}
00110 
00116         void OnExportVRML (std::string const &filename);
00117 
00118 private:
00119         OpenBabel::OBMol m_Mol;
00120 
00132 GCU_PROP (Display3DMode, Display3D);
00133 };
00134 
00135 }       // namespace gcu
00136 
00137 #endif  //      GCU_CHEM3D_DOCUMENT_H
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