crystaldoc.h
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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 "crystalline.h"
00033 #include "crystalcleavage.h"
00034 #include "document.h"
00035 #include <gcu/gldocument.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 GLDocument
00081 {
00082 public:
00086 CrystalDoc (Application *App);
00090 virtual ~CrystalDoc ();
00091
00102 void ParseXMLTree (xmlNode* xml);
00107 void Update ();
00111 CrystalView* GetView ();
00115 void Draw ();
00122 virtual CrystalView* CreateNewView ();
00129 virtual CrystalAtom* CreateNewAtom ();
00136 virtual CrystalLine* CreateNewLine ();
00142 virtual CrystalCleavage* CreateNewCleavage ();
00147 xmlDocPtr BuildXMLTree ();
00153 virtual const char* GetProgramId ();
00154
00155 protected:
00159 void Init ();
00163 void Reinit ();
00169 virtual bool LoadNewView (xmlNodePtr node);
00170
00171 private:
00172 void Duplicate (CrystalAtom& Atom);
00173 void Duplicate (CrystalLine& Line);
00174
00175 protected:
00179 gcLattices m_lattice;
00183 gdouble m_a;
00187 gdouble m_b;
00191 gdouble m_c;
00195 gdouble m_alpha;
00199 gdouble m_beta;
00203 gdouble m_gamma;
00207 gdouble m_xmin;
00211 gdouble m_ymin;
00215 gdouble m_zmin;
00219 gdouble m_xmax;
00223 gdouble m_ymax;
00227 gdouble m_zmax;
00231 gboolean m_bFixedSize;
00235 CrystalAtomList AtomDef;
00239 CrystalAtomList Atoms;
00243 CrystalLineList LineDef;
00247 CrystalLineList Lines;
00251 CrystalCleavageList Cleavages;
00255 list <CrystalView *> m_Views;
00256 };
00257
00258 extern gchar *LatticeName[];
00259
00260 }
00261
00262 #endif //CRYSTAL_DOC_H