diff options
Diffstat (limited to 'src/process_hkl.c')
| -rw-r--r-- | src/process_hkl.c | 59 |
1 files changed, 45 insertions, 14 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index b41b88bc..4e0738aa 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -175,11 +175,29 @@ static double scale_intensities(RefList *reference, RefList *new, } +static double *check_hist_size(int n, double *hist_vals) +{ + int ns; + double *try; + + if ( n % 1000 ) return hist_vals; + + ns = n / 1000; + ns = (ns+1)*1000; + + try = realloc(hist_vals, ns*sizeof(double)); + if ( try == NULL ) { + ERROR("Failed to allocate space for histogram.\n"); + } + return try; +} + + static int merge_crystal(RefList *model, struct image *image, Crystal *cr, - RefList *reference, const SymOpList *sym, - double *hist_vals, signed int hist_h, - signed int hist_k, signed int hist_l, int *hist_n, - int config_nopolar, double min_snr) + RefList *reference, const SymOpList *sym, + double **hist_vals, signed int hist_h, + signed int hist_k, signed int hist_l, int *hist_n, + int config_nopolar, double min_snr) { Reflection *refl; RefListIterator *iter; @@ -240,11 +258,20 @@ static int merge_crystal(RefList *model, struct image *image, Crystal *cr, model_redundancy = get_redundancy(model_version); set_redundancy(model_version, ++model_redundancy); - if ( hist_vals != NULL ) { + if ( *hist_vals != NULL ) { if ( (h==hist_h) && (k==hist_k) && (l==hist_l) ) { - hist_vals[*hist_n] = refl_intensity; - *hist_n += 1; + + *hist_vals = check_hist_size(*hist_n, + *hist_vals); + + /* Check again because realloc might have + * failed */ + if ( *hist_vals != NULL ) { + (*hist_vals)[*hist_n] = refl_intensity; + *hist_n += 1; + } + } } @@ -272,7 +299,7 @@ static void display_progress(int n_images, int n_crystals, int n_crystals_used) static int merge_all(Stream *st, RefList *model, RefList *reference, const SymOpList *sym, - double *hist_vals, signed int hist_h, + double **hist_vals, signed int hist_h, signed int hist_k, signed int hist_l, int *hist_i, int config_nopolar, int min_measurements, double min_snr, int start_after, int stop_after) @@ -512,11 +539,11 @@ int main(int argc, char *argv[]) ERROR("Invalid indices for '--histogram'\n"); return 1; } - - /* FIXME: This array must grow as necessary. */ - space_for_hist = 0 * num_equivs(sym, NULL); - hist_vals = malloc(space_for_hist * sizeof(double)); free(histo); + + /* Allocate enough space that hist_vals isn't NULL. + * check_hist_size will realloc it straight away */ + hist_vals = malloc(1*sizeof(double)); STATUS("Histogramming %i %i %i -> ", hist_h, hist_k, hist_l); /* Put into the asymmetric cell for the target group */ @@ -546,7 +573,7 @@ int main(int argc, char *argv[]) } hist_i = 0; - r = merge_all(st, model, NULL, sym, hist_vals, hist_h, hist_k, hist_l, + r = merge_all(st, model, NULL, sym, &hist_vals, hist_h, hist_k, hist_l, &hist_i, config_nopolar, min_measurements, min_snr, start_after, stop_after); fprintf(stderr, "\n"); @@ -573,8 +600,12 @@ int main(int argc, char *argv[]) reference = model; model = reflist_new(); + free(hist_vals); + hist_vals = malloc(1*sizeof(double)); + hist_i = 0; + r = merge_all(st, model, reference, sym, - hist_vals, hist_h, hist_k, hist_l, &hist_i, + &hist_vals, hist_h, hist_k, hist_l, &hist_i, config_nopolar, min_measurements, min_snr, start_after, stop_after); fprintf(stderr, "\n"); |