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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
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;
00247 gboolean m_bFixedSize;
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 }
00284
00285 #endif //CRYSTAL_DOC_H