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#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;
00246 gboolean
m_bFixedSize;
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 }
00283
00284
#endif //CRYSTAL_DOC_H