gpp4
1.3.1
Main Page
Related Pages
Classes
Files
File List
File Members
src
ccp4_spg.h
Go to the documentation of this file.
1
/*
2
ccp4_spg.h: Data structure for symmetry information
3
Copyright (C) 2001 CCLRC, Martyn Winn
4
5
This library is free software: you can redistribute it and/or
6
modify it under the terms of the GNU Lesser General Public
7
License as published by the Free Software Foundation, either
8
version 3 of the License, or (at your option) any later version.
9
10
This library is distributed in the hope that it will be useful,
11
but WITHOUT ANY WARRANTY; without even the implied warranty of
12
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13
Lesser General Public License for more details.
14
15
You should have received a copy of the GNU Lesser General Public
16
License along with This library. If not, see
17
<http://www.gnu.org/licenses/>.
18
19
*/
20
36
#ifndef __CCP4_SPG__
37
#define __CCP4_SPG__
38
39
#ifdef __cplusplus
40
namespace
CSym {
41
extern
"C"
{
42
#endif
43
48
typedef
struct
ccp4_symop_
49
{
50
float
rot[3][3];
51
float
trn[3];
52
}
ccp4_symop
;
58
typedef
struct
ccp4_spacegroup_
59
{
60
int
spg_num
;
61
int
spg_ccp4_num
;
62
char
symbol_Hall[40];
63
char
symbol_xHM[20];
64
char
symbol_old[20];
66
char
point_group[20];
67
char
crystal[20];
69
int
nlaue
;
70
char
laue_name[20];
71
int
laue_sampling[3];
73
int
npatt
;
74
char
patt_name[40];
76
int
nsymop
;
77
int
nsymop_prim
;
78
ccp4_symop
*
symop
;
79
ccp4_symop
*
invsymop
;
81
float
chb[3][3];
83
char
asu_descr[80];
84
int (*asufn)(
const
int,
const
int,
const
int);
86
int
centrics[12];
87
int
epsilon[13];
89
char
mapasu_zero_descr[80];
90
float
mapasu_zero[3];
92
char
mapasu_ccp4_descr[80];
93
float
mapasu_ccp4[3];
95
}
CCP4SPG
;
97
#ifdef __cplusplus
98
} }
99
#endif
100
101
#endif
/*__CCP4_SPG__ */
102
103
/*
104
Local variables:
105
mode: font-lock
106
End:
107
*/
Generated by
1.8.1.1