diff options
Diffstat (limited to 'src/powder_plot.c')
-rw-r--r-- | src/powder_plot.c | 69 |
1 files changed, 3 insertions, 66 deletions
diff --git a/src/powder_plot.c b/src/powder_plot.c index 5be08d8e..f7c6b561 100644 --- a/src/powder_plot.c +++ b/src/powder_plot.c @@ -70,8 +70,7 @@ enum { PLOT_PEAKS, PLOT_HKL, PLOT_REFL, - PLOT_H5, - PLOT_D + PLOT_H5 }; enum { @@ -426,59 +425,6 @@ static unsigned int process_stream_reflection(FILE *fh, struct image *image, } -static unsigned int process_stream_d(FILE *fh, struct image *image, - struct histogram_info *info, - struct bin_stats *histdata, - unsigned int *n_patterns) -{ - int h, k, l, rval; - unsigned int i = 0; - unsigned int n_peaks = 0; - Reflection *refl; - RefListIterator *iter; - double intensity, q; - unsigned int processing_total; - - processing_total = count_patterns(fh); - rewind(fh); - - do { - - /* Get data from next chunk */ - rval = read_chunk(fh, image); - if ( rval ) continue; - - if ( image->reflections != NULL ) { - - (*n_patterns)++; - - for ( refl = first_refl(image->reflections, &iter); - refl != NULL; - refl = next_refl(refl, iter) ) - { - get_indices(refl, &h, &k, &l); - intensity = get_intensity(refl); - q = 2.0 * resolution(image->indexed_cell, - h, k, l); - if ( !add_d_to_histogram(q, intensity, info, - histdata)) n_peaks++; - } - } - - free(image->filename); - reflist_free(image->reflections); - image_feature_list_free(image->features); - cell_free(image->indexed_cell); - - i++; - progress_bar(i, processing_total, "Processing"); - - } while ( rval == 0 ); - - return n_peaks; -} - - static unsigned int process_stream_hkl(FILE *fh, struct image *image, struct histogram_info *info, struct bin_stats *histdata, @@ -923,10 +869,11 @@ int main(int argc, char *argv[]) } if ( datatype == NULL ) { - data_type = PLOT_D; + data_type = PLOT_HKL; if ((hist_info.q_min < 0.0) || (hist_info.q_max < 0.0)) { need_geometry = 1; } + need_pdb = 1; } else if ( strcmp(datatype, "reflection") == 0 ) { data_type = PLOT_REFL; @@ -936,12 +883,6 @@ int main(int argc, char *argv[]) data_type = PLOT_HKL; need_pdb = 1; - } else if ( strcmp(datatype, "d") == 0 ) { - data_type = PLOT_D; - if ((hist_info.q_min < 0.0) || (hist_info.q_max < 0.0)) { - need_geometry = 1; - } - } else if ( strcmp(datatype, "peaks") == 0 ) { data_type = PLOT_PEAKS; need_geometry = 1; @@ -1159,10 +1100,6 @@ int main(int argc, char *argv[]) n_peaks = process_stream_reflection(fh, &image, &hist_info, histdata, &n_patterns); break; - case PLOT_D : - n_peaks = process_stream_d(fh, &image, &hist_info, - histdata, &n_patterns); - break; case PLOT_HKL : n_peaks = process_stream_hkl(fh, &image, &hist_info, histdata, cell, &n_patterns); |