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/*
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 <vector>
#include <string>
#include"Crystal.h"
#include"Word.h"
#include"os_python.h"
struct CSymmetry {
PyMOLGlobals *G;
CCrystal *Crystal;
int PDBZValue;
WordType SpaceGroup;
float *SymMatVLA;
// get the number of symmetry matrices
int getNSymMat() const;
// get the i'th symmetry matrix (pointer to float[16])
const float * getSymMat(int i) const {
return SymMatVLA + i * 16;
}
};
int SymmetryAttemptGeneration(CSymmetry * I, int quiet=false);
void SymmetryFree(CSymmetry * I);
void SymmetryClear(CSymmetry * I);
CSymmetry *SymmetryNew(PyMOLGlobals * G);
void SymmetryUpdate(CSymmetry * I);
void SymmetryDump(CSymmetry * I);
CSymmetry *SymmetryCopy(const CSymmetry * other);
PyObject *SymmetryAsPyList(CSymmetry * I);
CSymmetry *SymmetryNewFromPyList(PyMOLGlobals * G, PyObject * list);
void SymmetrySpaceGroupRegister(PyMOLGlobals * G, const char* sg, const std::vector<std::string>& sym_op);
#endif
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