diff options
| author | Thomas White <taw@physics.org> | 2011-07-18 18:21:30 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:33 +0100 |
| commit | 599c277480ee1d3d5a1a2ffb486e855b845c0dbe (patch) | |
| tree | 668685308cca58d126b11d10f98eb256c7dac0f6 /src/compare_hkl.c | |
| parent | 33077f930ed81d70081a95edb7d7004390fa4047 (diff) | |
Compiles (with warnings)
Diffstat (limited to 'src/compare_hkl.c')
| -rw-r--r-- | src/compare_hkl.c | 19 |
1 files changed, 11 insertions, 8 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c index 0ed48311..c8a6fde5 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -51,7 +51,7 @@ static void show_help(const char *s) static void plot_shells(RefList *list1, double *arr2, double scale, - UnitCell *cell, const char *sym, + UnitCell *cell, const SymOpList *sym, double rmin_fix, double rmax_fix) { double num[NBINS]; @@ -170,7 +170,7 @@ static void plot_shells(RefList *list1, double *arr2, double scale, signed int hs, ks, ls; int bin; - get_asymm(h, k, l, &hs, &ks, &ls, sym); + get_asymm(sym, h, k, l, &hs, &ks, &ls); if ( lookup_count(counted, hs, ks, ls) ) continue; set_count(counted, hs, ks, ls, 1); @@ -259,7 +259,8 @@ int main(int argc, char *argv[]) char *ratiofile = NULL; char *afile = NULL; char *bfile = NULL; - char *sym = NULL; + char *sym_str = NULL; + SymOpList *sym; double scale, scale_r2, scale_rdig, R1, R2, R1i, Rdiff, pearson; double scale_rintint, scale_r1i, scale_r1, scale_r1fi; int ncom; @@ -306,7 +307,7 @@ int main(int argc, char *argv[]) break; case 'y' : - sym = strdup(optarg); + sym_str = strdup(optarg); break; case 'p' : @@ -345,9 +346,11 @@ int main(int argc, char *argv[]) return 1; } - if ( sym == NULL ) { - sym = strdup("1"); + if ( sym_str == NULL ) { + sym_str = strdup("1"); } + sym = get_pointgroup(sym_str); + free(sym_str); afile = strdup(argv[optind++]); bfile = strdup(argv[optind]); @@ -374,12 +377,12 @@ int main(int argc, char *argv[]) /* Check that the intensities have the correct symmetry */ if ( check_list_symmetry(list1, sym) ) { ERROR("The first input reflection list does not appear to" - " have symmetry %s\n", sym); + " have symmetry %s\n", symmetry_name(sym)); return 1; } if ( check_list_symmetry(list2, sym) ) { ERROR("The second input reflection list does not appear to" - " have symmetry %s\n", sym); + " have symmetry %s\n", symmetry_name(sym)); return 1; } |