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Symmetry.h

/* 
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific. 
D* -------------------------------------------------------------------
E* It is unlawful to modify or remove this copyright notice.
F* -------------------------------------------------------------------
G* Please see the accompanying LICENSE file for further information. 
H* -------------------------------------------------------------------
I* Additional authors of this source file include:
-* 
-* 
-*
Z* -------------------------------------------------------------------
*/
#ifndef _H_Symmetry
#define _H_Symmetry

#include"Crystal.h"
#include"Word.h"
#include"os_python.h"

typedef struct {
  PyMOLGlobals *G;
  CCrystal *Crystal;
  WordType PDBSpaceGroup;
  int PDBZValue;
  WordType SpaceGroup;
  ov_size NSymMat;
  float *SymMatVLA;
  ov_size NSymOp;
  WordType *SymOpVLA;

} CSymmetry;

int SymmetryAttemptGeneration(CSymmetry * I, int quiet);
void SymmetryFree(CSymmetry * I);
CSymmetry *SymmetryNew(PyMOLGlobals * G);
void SymmetryUpdate(CSymmetry * I);
void SymmetryDump(CSymmetry * I);
CSymmetry *SymmetryCopy(CSymmetry * other);
PyObject *SymmetryAsPyList(CSymmetry * I);
int SymmetryFromPyList(CSymmetry * I, PyObject * list);
CSymmetry *SymmetryNewFromPyList(PyMOLGlobals * G, PyObject * list);
void SymmetryReset(CSymmetry * I);

#endif

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