crystaldoc.h

00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemisty Utils
00005  * crystaldoc.h 
00006  *
00007  * Copyright (C) 2002-2004 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 CRYSTAL_DOC_H
00026 #define CRYSTAL_DOC_H
00027 
00028 #include <libxml/tree.h>
00029 #include <glib.h>
00030 #include "chemistry.h"
00031 #include "crystalatom.h"
00032 #include "crystalbond.h"
00033 #include "crystalline.h"
00034 #include "crystalcleavage.h"
00035 #include "document.h"
00036 
00037 namespace gcu
00038 {
00039 
00040 class CrystalView;
00041 
00061 enum gcLattices {cubic=0,
00062                                  body_centered_cubic,
00063                                  face_centered_cubic,
00064                                  hexagonal,
00065                                  tetragonal,
00066                                  body_centered_tetragonal,
00067                                  orthorhombic,
00068                                  base_centered_orthorhombic,
00069                                  body_centered_orthorhombic,
00070                                  face_centered_orthorhombic,
00071                                  rhombohedral,
00072                                  monoclinic,
00073                                  base_centered_monoclinic,
00074                                  triclinic
00075 };
00076 
00080 class CrystalDoc: public Document
00081 {
00082 public:
00086         CrystalDoc ();
00090         virtual ~CrystalDoc ();
00091 
00102         void ParseXMLTree (xmlNode* xml);
00107         void Update ();
00111         CrystalView* GetView ();
00115         bool IsDirty () {return m_bDirty;}
00119         virtual void SetDirty ();
00123         void Draw ();
00127         gdouble GetMaxDist () {return m_dDist;}
00134         virtual CrystalView* CreateNewView ();
00141         virtual CrystalAtom* CreateNewAtom ();
00148         virtual CrystalLine* CreateNewLine ();
00154         virtual CrystalCleavage* CreateNewCleavage ();
00159         xmlDocPtr BuildXMLTree ();
00165         virtual const char* GetProgramId ();
00166         
00167 protected:
00171         void Init ();
00175         void Reinit ();
00181         virtual bool LoadNewView (xmlNodePtr node);
00182 
00183 private:
00184         void Duplicate (CrystalAtom& Atom);
00185         void Duplicate (CrystalLine& Line);
00186 
00187 protected:
00191         gcLattices m_lattice;
00195         gdouble m_a;
00199         gdouble m_b;
00203         gdouble m_c;
00207         gdouble m_alpha;
00211         gdouble m_beta;
00215         gdouble m_gamma;
00219         gdouble m_xmin;
00223         gdouble m_ymin;
00227         gdouble m_zmin;
00231         gdouble m_xmax;
00235         gdouble m_ymax;
00239         gdouble m_zmax;
00243         gdouble m_dDist; //maximum distance between an object and the center
00247         gboolean m_bFixedSize;  //true if cleavages must not change positions in the view
00251         CrystalAtomList AtomDef;
00255         CrystalAtomList Atoms;
00259         CrystalLineList LineDef;
00263         CrystalLineList Lines;
00267         CrystalCleavageList Cleavages;
00271         list <CrystalView *> m_Views;
00276         bool m_bDirty;
00280         bool m_bEmpty;
00281 };
00282         
00283 } //namespace gcu
00284 
00285 #endif //CRYSTAL_DOC_H

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