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
49
50
51
52
53
54
55
56
|
/*
* symmetry_check.c
*
* Check symmetry
*
* (c) 2011 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdlib.h>
#include <stdio.h>
#include "../src/symmetry.h"
#include "../src/utils.h"
static void check_nequiv(const char *pg, int answer, int *fail)
{
SymOpList *sym;
int n;
//STATUS("**************************************** Testing '%s'\n", pg);
sym = get_pointgroup(pg);
n = num_equivs(sym, NULL);
if ( n != answer ) {
ERROR("Number of equivalents in '%s' is %i (not %i)\n",
pg, n, answer);
*fail = 1;
}
free_symoplist(sym);
}
int main(int argc, char *argv[])
{
int fail = 0;
check_nequiv( "1", 1, &fail);
check_nequiv( "-1", 2, &fail);
check_nequiv( "2", 2, &fail);
check_nequiv( "m", 2, &fail);
check_nequiv("2/m", 4, &fail);
return fail;
}
|
