# 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