diff options
Diffstat (limited to 'src/process_hkl.c')
| -rw-r--r-- | src/process_hkl.c | 36 |
1 files changed, 32 insertions, 4 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index a34613c7..32529b6b 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -53,6 +53,7 @@ static void show_help(const char *s) " final output list. This is useful for comparing\n" " results to radially summed powder patterns, but\n" " will break R-factor analysis.\n" +" --start-after=<n> Skip n patterns at the start of the stream.\n" " --stop-after=<n> Stop after processing n patterns. Zero means\n" " keep going until the end of the input, and is\n" " the default.\n" @@ -290,7 +291,7 @@ static void merge_pattern(double *model, ReflItemList *observed, static void merge_all(FILE *fh, double **pmodel, ReflItemList **pobserved, unsigned int **pcounts, int config_maxonly, int config_scale, int config_sum, - int config_stopafter, + int config_startafter, int config_stopafter, ReflItemList *twins, const char *holo, const char *mero, int n_total_patterns, double *hist_vals, signed int hist_h, signed int hist_k, signed int hist_l, @@ -308,6 +309,25 @@ static void merge_all(FILE *fh, double **pmodel, ReflItemList **pobserved, unsigned int *counts = new_list_count(); int i; + if ( config_startafter != 0 ) { + + do { + + char line[1024]; + + rval = fgets(line, 1023, fh); + if ( (strncmp(line, "Reflections from indexing", 25) + == 0) + || (strncmp(line, "New pattern", 11) == 0) ) { + n_patterns++; + } + + if ( n_patterns == config_startafter ) break; + + } while ( rval != NULL ); + + } + do { char line[1024]; @@ -436,6 +456,7 @@ int main(int argc, char *argv[]) unsigned int *counts; UnitCell *cell; int config_maxonly = 0; + int config_startafter = 0; int config_stopafter = 0; int config_sum = 0; int config_scale = 0; @@ -460,6 +481,7 @@ int main(int argc, char *argv[]) {"max-only", 0, &config_maxonly, 1}, {"output-every", 1, NULL, 'e'}, {"stop-after", 1, NULL, 's'}, + {"start-after", 1, NULL, 'f'}, {"sum", 0, &config_sum, 1}, {"scale", 0, &config_scale, 1}, {"symmetry", 1, NULL, 'y'}, @@ -470,7 +492,7 @@ int main(int argc, char *argv[]) }; /* Short options */ - while ((c = getopt_long(argc, argv, "hi:e:ro:p:y:g:", + while ((c = getopt_long(argc, argv, "hi:e:ro:p:y:g:f:", longopts, NULL)) != -1) { switch (c) { @@ -490,6 +512,10 @@ int main(int argc, char *argv[]) config_stopafter = atoi(optarg); break; + case 'f' : + config_startafter = atoi(optarg); + break; + case 'p' : pdb = strdup(optarg); break; @@ -593,7 +619,8 @@ int main(int argc, char *argv[]) hist_i = 0; merge_all(fh, &model, &observed, &counts, - config_maxonly, config_scale, config_sum, config_stopafter, + config_maxonly, config_scale, config_sum, + config_startafter, config_stopafter, twins, holo, sym, n_total_patterns, hist_vals, hist_h, hist_k, hist_l, &hist_i, NULL, NULL, NULL); rewind(fh); @@ -623,7 +650,8 @@ int main(int argc, char *argv[]) rewind(fh); merge_all(fh, &model, &observed, &counts, config_maxonly, config_scale, 0, - config_stopafter, twins, holo, sym, n_total_patterns, + config_startafter, config_stopafter, twins, holo, sym, + n_total_patterns, NULL, 0, 0, 0, NULL, devs, tots, model); for ( i=0; i<num_items(observed); i++ ) { |