File: Symmetry.h

package info (click to toggle)
pymol 1.2r2-1.1
  • links: PTS, VCS
  • area: main
  • in suites: squeeze
  • size: 38,716 kB
  • ctags: 23,006
  • sloc: ansic: 480,417; python: 70,953; cpp: 12,928; sh: 10,266; makefile: 530; csh: 21
file content (48 lines) | stat: -rw-r--r-- 1,467 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48

/* 
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