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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 #include <gcu/gldocument.h>
00037
00038 namespace gcu
00039 {
00040
00041 class CrystalView;
00042
00062 enum gcLattices {cubic=0,
00063 body_centered_cubic,
00064 face_centered_cubic,
00065 hexagonal,
00066 tetragonal,
00067 body_centered_tetragonal,
00068 orthorhombic,
00069 base_centered_orthorhombic,
00070 body_centered_orthorhombic,
00071 face_centered_orthorhombic,
00072 rhombohedral,
00073 monoclinic,
00074 base_centered_monoclinic,
00075 triclinic
00076 };
00077
00081 class CrystalDoc: public GLDocument
00082 {
00083 public:
00087 CrystalDoc (Application *App);
00091 virtual ~CrystalDoc ();
00092
00103 void ParseXMLTree (xmlNode* xml);
00108 void Update ();
00112 CrystalView* GetView ();
00116 bool IsDirty () {return m_bDirty;}
00120 virtual void SetDirty ();
00124 void Draw ();
00131 virtual CrystalView* CreateNewView ();
00138 virtual CrystalAtom* CreateNewAtom ();
00145 virtual CrystalLine* CreateNewLine ();
00151 virtual CrystalCleavage* CreateNewCleavage ();
00156 xmlDocPtr BuildXMLTree ();
00162 virtual const char* GetProgramId ();
00163
00164 protected:
00168 void Init ();
00172 void Reinit ();
00178 virtual bool LoadNewView (xmlNodePtr node);
00179
00180 private:
00181 void Duplicate (CrystalAtom& Atom);
00182 void Duplicate (CrystalLine& Line);
00183
00184 protected:
00188 gcLattices m_lattice;
00192 gdouble m_a;
00196 gdouble m_b;
00200 gdouble m_c;
00204 gdouble m_alpha;
00208 gdouble m_beta;
00212 gdouble m_gamma;
00216 gdouble m_xmin;
00220 gdouble m_ymin;
00224 gdouble m_zmin;
00228 gdouble m_xmax;
00232 gdouble m_ymax;
00236 gdouble m_zmax;
00240 gboolean m_bFixedSize;
00244 CrystalAtomList AtomDef;
00248 CrystalAtomList Atoms;
00252 CrystalLineList LineDef;
00256 CrystalLineList Lines;
00260 CrystalCleavageList Cleavages;
00264 list <CrystalView *> m_Views;
00269 bool m_bDirty;
00273 bool m_bEmpty;
00274 };
00275
00276 }
00277
00278 #endif //CRYSTAL_DOC_H