diff options
| author | Thomas White <taw@physics.org> | 2010-11-22 16:56:32 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:07 +0100 |
| commit | 24746060a47d220c016f34e3598665817e3d407d (patch) | |
| tree | 606ca7847fe950f4222e9eac111fe76de39b6bd6 /src | |
| parent | df8c88903686266ae406dc8842d4e5cf2c4e3b95 (diff) | |
Allow selected reflections to change
This partially reverts a2611c8c2acf977eddac2d1a372760383d395da5.
Diffstat (limited to 'src')
| -rw-r--r-- | src/facetron.c | 4 | ||||
| -rw-r--r-- | src/geometry.c | 2 | ||||
| -rw-r--r-- | src/geometry.h | 2 | ||||
| -rw-r--r-- | src/post-refinement.c | 6 | ||||
| -rw-r--r-- | src/templates.c | 2 |
5 files changed, 7 insertions, 9 deletions
diff --git a/src/facetron.c b/src/facetron.c index dd82256a..78a4b72b 100644 --- a/src/facetron.c +++ b/src/facetron.c @@ -102,7 +102,7 @@ static void refine_image(int mytask, void *tasks) return; } - spots = find_intersections(image, image->indexed_cell, &n, 0, NULL); + spots = find_intersections(image, image->indexed_cell, &n, 0); dev = +INFINITY; i = 0; do { @@ -166,7 +166,7 @@ static void integrate_image(int mytask, void *tasks) } /* Figure out which spots should appear in this pattern */ - spots = find_intersections(image, image->indexed_cell, &n, 0, NULL); + spots = find_intersections(image, image->indexed_cell, &n, 0); /* For each reflection, estimate the partiality */ for ( j=0; j<n; j++ ) { diff --git a/src/geometry.c b/src/geometry.c index 326f2f5c..263be4af 100644 --- a/src/geometry.c +++ b/src/geometry.c @@ -230,7 +230,7 @@ static int check_reflection(struct image *image, double mres, int output, struct cpeak *find_intersections(struct image *image, UnitCell *cell, - int *n, int output, struct cpeak *t) + int *n, int output) { double asx, asy, asz; double bsx, bsy, bsz; diff --git a/src/geometry.h b/src/geometry.h index 03fde52f..0782a3e1 100644 --- a/src/geometry.h +++ b/src/geometry.h @@ -18,7 +18,7 @@ #endif extern struct cpeak *find_intersections(struct image *image, UnitCell *cell, - int *n, int output, struct cpeak *t); + int *n, int output); extern double integrate_all(struct image *image, struct cpeak *cpeaks, int n); diff --git a/src/post-refinement.c b/src/post-refinement.c index 537c430b..69a9563c 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -274,7 +274,6 @@ double pr_iterate(struct image *image, double *i_full, const char *sym, gsl_vector *shifts; int h, param; struct cpeak *spots = *pspots; - struct cpeak *spots_old; M = gsl_matrix_calloc(NUM_PARAMS, NUM_PARAMS); v = gsl_vector_calloc(NUM_PARAMS); @@ -351,9 +350,8 @@ double pr_iterate(struct image *image, double *i_full, const char *sym, gsl_vector_free(v); gsl_vector_free(shifts); - spots_old = spots; - spots = find_intersections(image, image->indexed_cell, n, 0, spots_old); - free(spots_old); + free(spots); + spots = find_intersections(image, image->indexed_cell, n, 0); *pspots = spots; return mean_partial_dev(image, spots, *n, sym, i_full, NULL); } diff --git a/src/templates.c b/src/templates.c index 57434473..4bd85a76 100644 --- a/src/templates.c +++ b/src/templates.c @@ -172,7 +172,7 @@ IndexingPrivate *generate_templates(UnitCell *cell, const char *filename, cell_rot = rotate_cell(cell, omega, phi, 0.0); - cpeaks = find_intersections(&image, cell_rot, &n, 0, NULL); + cpeaks = find_intersections(&image, cell_rot, &n, 0); if ( cpeaks == NULL ) { ERROR("Template calculation failed.\n"); return NULL; |