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/*
* 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 const char *maybenot(int v)
{
if ( v ) {
return "";
} else {
return " not";
}
}
static void check_pg_props(const char *pg, int answer, int centro, int *fail)
{
SymOpList *sym;
int n, c;
//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;
}
c = is_centrosymmetric(sym);
if ( c != centro ) {
ERROR("'%s' should%s be centrosymmetric, but is%s.\n",
pg, maybenot(centro), maybenot(c));
*fail = 1;
}
free_symoplist(sym);
}
int main(int argc, char *argv[])
{
int fail = 0;
check_pg_props( "1", 1, 0, &fail);
check_pg_props( "-1", 2, 1, &fail);
check_pg_props( "2", 2, 0, &fail);
check_pg_props( "m", 2, 0, &fail);
check_pg_props("2/m", 4, 1, &fail);
check_pg_props("222", 4, 0, &fail);
check_pg_props("mm2", 4, 0, &fail);
check_pg_props("mmm", 8, 1, &fail);
check_pg_props( "4", 4, 0, &fail);
return fail;
}
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