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crystaldoc.h

00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemisty Utils
00005  * crystalviewer/crystaldoc.h 
00006  *
00007  * Copyright (C) 2002-2003
00008  *
00009  * Developed by Jean Bréfort <jean.brefort@ac-dijon.fr>
00010  *
00011  * This library is free software; you can redistribute it and/or
00012  * modify it under the terms of the GNU Lesser General Public
00013  * License as published by the Free Software Foundation; either
00014  * version 2.1 of the License, or (at your option) any later version.
00015  *
00016  * This library is distributed in the hope that it will be useful,
00017  * but WITHOUT ANY WARRANTY; without even the implied warranty of
00018  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
00019  * Lesser General Public License for more details.
00020  *
00021  * You should have received a copy of the GNU Lesser General Public
00022  * License along with this library; if not, write to the 
00023  * Free Software Foundation, Inc., 59 Temple Place - Suite 330,
00024  * Boston, MA  02111-1307, USA.
00025  */
00026 
00027 #ifndef CRYSTAL_DOC_H
00028 #define CRYSTAL_DOC_H
00029 
00030 #include <libxml/tree.h>
00031 #include <glib.h>
00032 #include "chemistry/chemistry.h"
00033 #include "crystalatom.h"
00034 #include "crystalline.h"
00035 #include "crystalcleavage.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 
00079 class CrystalDoc
00080 {
00081 public:
00085         CrystalDoc();
00089         virtual ~CrystalDoc();
00090 
00101         void ParseXMLTree(xmlNode* xml);
00106         void Update();
00110         CrystalView* GetView();
00114         bool IsDirty() {return m_bDirty;}
00118         virtual void SetDirty();
00122         void Draw();
00126         gdouble GetMaxDist() {return m_dDist;}
00133         virtual CrystalView* CreateNewView();
00140         virtual CrystalAtom* CreateNewAtom();
00147         virtual CrystalLine* CreateNewLine();
00153         virtual CrystalCleavage* CreateNewCleavage();
00158         xmlDocPtr BuildXMLTree();
00164         virtual const char* GetProgramId();
00165         
00166 protected:
00170         void Init();
00174         void Reinit();
00180         virtual bool LoadNewView(xmlNodePtr node);
00181 
00182 private:
00183         void Duplicate(CrystalAtom& Atom);
00184         void Duplicate(CrystalLine& Line);
00185 
00186 protected:
00190         gcLattices m_lattice;
00194         gdouble m_a;
00198         gdouble m_b;
00202         gdouble m_c;
00206         gdouble m_alpha;
00210         gdouble m_beta;
00214         gdouble m_gamma;
00218         gdouble m_xmin;
00222         gdouble m_ymin;
00226         gdouble m_zmin;
00230         gdouble m_xmax;
00234         gdouble m_ymax;
00238         gdouble m_zmax;
00242         gdouble m_dDist; //maximum distance between an object and the center
00246         gboolean m_bFixedSize;  //true if cleavages must not change positions in the view
00250         CrystalAtomList AtomDef;
00254         CrystalAtomList Atoms;
00258         CrystalLineList LineDef;
00262         CrystalLineList Lines;
00266         CrystalCleavageList Cleavages;
00270         list <CrystalView *> m_Views;
00275         bool m_bDirty;
00279         bool m_bEmpty;
00280 };
00281         
00282 } //namespace gcu
00283 
00284 #endif //CRYSTAL_DOC_H

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