diff options
Diffstat (limited to 'src/cubeit.c')
| -rw-r--r-- | src/cubeit.c | 26 |
1 files changed, 21 insertions, 5 deletions
diff --git a/src/cubeit.c b/src/cubeit.c index bed617df..40bfa339 100644 --- a/src/cubeit.c +++ b/src/cubeit.c @@ -29,6 +29,7 @@ #include "hdf5-file.h" #include "diffraction.h" #include "render.h" +#include "symmetry.h" #define MAX_THREADS (256) @@ -54,7 +55,10 @@ struct process_args pthread_mutex_t angles_mutex; /* Protects "angles" */ unsigned int *angles; struct detector *det; - + signed int ht; + signed int kt; + signed int lt; + char *sym; }; @@ -150,9 +154,6 @@ static void process_image(struct process_args *pargs) double bx, by, bz; double cx, cy, cz; int x, y; - const signed int ht = 3; - const signed int kt = 4; - const signed int lt = 5; image.features = NULL; image.data = NULL; @@ -193,6 +194,7 @@ static void process_image(struct process_args *pargs) signed int h, k, l; double dh, dk, dl; struct rvec q; + signed int ha, ka, la; q = get_q(&image, x, y, 1, NULL, 1.0/image.lambda); @@ -204,7 +206,10 @@ static void process_image(struct process_args *pargs) k = (signed int)rint(kd); l = (signed int)rint(ld); - if ( (h!=ht) || (k!=kt) || (l!=lt) ) continue; + get_asymm(h, k, l, &ha, &ka, &la, pargs->sym); + if ( (ha!=pargs->ht) || (ka!=pargs->kt) || (la!=pargs->lt) ) { + continue; + } dh = hd - h; dk = kd - k; @@ -485,6 +490,8 @@ int main(int argc, char *argv[]) const int gs = 16; unsigned int angles[180]; int config_angles = 0; + signed int ht, kt, lt; + char *sym = NULL; /* Long options */ const struct option longopts[] = { @@ -561,6 +568,8 @@ int main(int argc, char *argv[]) } free(geomfile); + sym = strdup("6/mmm"); /* FIXME: Should be on command line */ + /* Initialise histogram */ for ( i=0; i<180; i++ ) angles[i] = 0; @@ -572,6 +581,9 @@ int main(int argc, char *argv[]) return 1; } + /* FIXME: Get indices on command line (or elsewhere) */ + get_asymm(3, 4, 5, &ht, &kt, <, sym); + /* Initialise worker arguments */ for ( i=0; i<nthreads; i++ ) { @@ -588,6 +600,10 @@ int main(int argc, char *argv[]) pthread_mutex_init(&worker_args[i]->control_mutex, NULL); pthread_mutex_init(&worker_args[i]->vals_mutex, NULL); pthread_mutex_init(&worker_args[i]->angles_mutex, NULL); + worker_args[i]->ht = ht; + worker_args[i]->kt = kt; + worker_args[i]->lt = lt; + worker_args[i]->sym = sym; } |