chem3ddoc.h

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// -*- C++ -*-

/*
 * Gnome Chemistry Utils
 * gcu/chem3ddoc.h
 *
 * Copyright (C) 2006-2012 Jean Bréfort <jean.brefort@normalesup.org>
 *
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU General Public License as
 * published by the Free Software Foundation; either version 3 of the
 * License, or (at your option) any later version.
 *
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301
 * USA
 */

#ifndef GCU_CHEM3D_DOCUMENT_H
#define GCU_CHEM3D_DOCUMENT_H

#include <gcu/macros.h>
#include <gcu/gldocument.h>
#include <gcu/molecule.h>

namespace gcu {

typedef enum
{
        BALL_AND_STICK,
        SPACEFILL,
        CYLINDERS,
        WIREFRAME
} Display3DMode;

class Application;
class Matrix;

class Chem3dDoc: public GLDocument
{
public:
        Chem3dDoc ();
        Chem3dDoc (Application *App, GLView *View);
        virtual ~Chem3dDoc ();

        void Draw (Matrix const &m) const;

        bool IsEmpty () {return !m_Mol || m_Mol->GetAtomsNumber () == 0;}

        void Load (char const *uri, char const *mime_type);

        ContentType LoadData (char const *data, char const *mime_type, size_t size = 0);

        void OnExportVRML (std::string const &filename);

        void Clear ();

        virtual GLView *CreateView () = 0;

        static Display3DMode Display3DModeFromString (char const *name);

        static char const *Display3DModeAsString (Display3DMode mode);

        bool SetProperty (unsigned property, char const *value);

GCU_PROP_EX (Display3DMode, Display3D)
GCU_RO_PROP (Molecule *, Mol)

private:
        /* cell parameters to support molecule loaded from a crystal structure */
        gdouble m_a, m_b, m_c, m_alpha, m_beta, m_gamma;
};

}       // namespace gcu

#endif  //      GCU_CHEM3D_DOCUMENT_H