diff options
| author | Thomas White <taw@physics.org> | 2010-11-19 13:16:56 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:06 +0100 |
| commit | 37abb8746a6217e7d0420617c91f55ecfe636938 (patch) | |
| tree | f0a92dcaba1187ab102142cd57bc1a3761650773 /src | |
| parent | 3e7254d1787f296795860899a6a4862a73e6b28e (diff) | |
facetron: Fix initial refinement stuff
Diffstat (limited to 'src')
| -rw-r--r-- | src/facetron.c | 21 |
1 files changed, 14 insertions, 7 deletions
diff --git a/src/facetron.c b/src/facetron.c index 70a3baaa..55543c8e 100644 --- a/src/facetron.c +++ b/src/facetron.c @@ -164,18 +164,19 @@ static double mean_partial_dev(struct image *image, struct cpeak *spots, int n, static double iterate(struct image *image, double *i_full, const char *sym, - struct cpeak *spots, int n) + struct cpeak **pspots, int *n) { gsl_matrix *M; gsl_vector *v; gsl_vector *shifts; int h, param; + struct cpeak *spots = *pspots; - M = gsl_matrix_alloc(NUM_PARAMS, NUM_PARAMS); - v = gsl_vector_alloc(NUM_PARAMS); + M = gsl_matrix_calloc(NUM_PARAMS, NUM_PARAMS); + v = gsl_vector_calloc(NUM_PARAMS); /* Construct the equations, one per reflection in this image */ - for ( h=0; h<n; h++ ) { + for ( h=0; h<*n; h++ ) { signed int hind, kind, lind; signed int ha, ka, la; @@ -241,9 +242,14 @@ static double iterate(struct image *image, double *i_full, const char *sym, } STATUS("New OSF = %f\n", image->osf); + gsl_matrix_free(M); + gsl_vector_free(v); + gsl_vector_free(shifts); + free(spots); - spots = find_intersections(image, image->indexed_cell, &n, 0); - return mean_partial_dev(image, spots, n, sym, i_full, NULL); + spots = find_intersections(image, image->indexed_cell, n, 0); + *pspots = spots; + return mean_partial_dev(image, spots, *n, sym, i_full, NULL); } @@ -279,7 +285,7 @@ static void refine_image(int mytask, void *tasks) i = 0; do { last_dev = dev; - dev = iterate(image, pargs->i_full, pargs->sym, spots, n); + dev = iterate(image, pargs->i_full, pargs->sym, &spots, &n); STATUS("Iteration %2i: mean dev = %5.2f\n", i, dev); i++; } while ( (fabs(last_dev - dev) > 1.0) || (i == MAX_CYCLES) ); @@ -289,6 +295,7 @@ static void refine_image(int mytask, void *tasks) free(image->data); if ( image->flags != NULL ) free(image->flags); hdfile_close(hdfile); + free(spots); /* Muppet proofing */ image->data = NULL; |