diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/partialator.c | 49 |
1 files changed, 45 insertions, 4 deletions
diff --git a/src/partialator.c b/src/partialator.c index 9532e92e..11bf8df2 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -71,6 +71,8 @@ static void show_help(const char *s) " -i, --input=<filename> Specify the name of the input 'stream'.\n" " -o, --output=<filename> Output filename. Default: partialator.hkl.\n" " -y, --symmetry=<sym> Merge according to symmetry <sym>.\n" +" --start-after=<n> Skip <n> crystals at the start of the stream.\n" +" --stop-after=<n> Stop after merging <n> crystals.\n" " -n, --iterations=<n> Run <n> cycles of scaling and post-refinement.\n" " --no-scale Fix all the scaling factors at unity.\n" " -m, --model=<model> Specify partiality model.\n" @@ -447,7 +449,9 @@ int main(int argc, char *argv[]) int n_iter = 10; RefList *full; int n_images = 0; + int n_images_seen = 0; int n_crystals = 0; + int n_crystals_seen = 0; char cmdline[1024]; int no_scale = 0; Stream *st; @@ -457,6 +461,8 @@ int main(int argc, char *argv[]) int min_measurements = 2; char *rval; int polarisation = 1; + int start_after = 0; + int stop_after = 0; double max_adu = +INFINITY; char *sparams_fn = NULL; FILE *sparams_fh; @@ -470,6 +476,8 @@ int main(int argc, char *argv[]) {"version", 0, NULL, 'v'}, {"input", 1, NULL, 'i'}, {"output", 1, NULL, 'o'}, + {"start-after", 1, NULL, 's'}, + {"stop-after", 1, NULL, 'f'}, {"symmetry", 1, NULL, 'y'}, {"iterations", 1, NULL, 'n'}, {"model", 1, NULL, 'm'}, @@ -519,6 +527,26 @@ int main(int argc, char *argv[]) nthreads = atoi(optarg); break; + case 's' : + errno = 0; + start_after = strtod(optarg, &rval); + if ( *rval != '\0' ) { + ERROR("Invalid value for --start-after (%s)\n", + optarg); + return 1; + } + break; + + case 'f' : + errno = 0; + stop_after = strtod(optarg, &rval); + if ( *rval != '\0' ) { + ERROR("Invalid value for --stop-after (%s)\n", + optarg); + return 1; + } + break; + case 'y' : sym_str = strdup(optarg); break; @@ -623,7 +651,9 @@ int main(int argc, char *argv[]) /* Fill in what we know about the images so far */ n_images = 0; + n_images_seen = 0; n_crystals = 0; + n_crystals_seen = 0; images = NULL; crystals = NULL; if ( sparams_fn != NULL ) { @@ -669,7 +699,7 @@ int main(int argc, char *argv[]) return 1; } - n_images++; + n_images_seen++; for ( i=0; i<cur->n_crystals; i++ ) { @@ -677,6 +707,9 @@ int main(int argc, char *argv[]) Crystal **crystals_new; RefList *cr_refl; + n_crystals_seen++; + if ( n_crystals_seen <= start_after ) continue; + crystals_new = realloc(crystals, (n_crystals+1)*sizeof(Crystal *)); if ( crystals_new == NULL ) { @@ -716,12 +749,20 @@ int main(int argc, char *argv[]) n_crystals++; + if ( n_crystals == stop_after ) break; + + } + + if ( n_crystals > 0 ) { + n_images++; } if ( n_images % 100 == 0 ) { display_progress(n_images, n_crystals); } + if ( (stop_after>0) && (n_crystals == stop_after) ) break; + } while ( 1 ); display_progress(n_images, n_crystals); fprintf(stderr, "\n"); @@ -790,7 +831,7 @@ int main(int argc, char *argv[]) } /* Output results */ - write_reflist(outfile, full); + write_reflist_2(outfile, full, sym); /* Output split results */ char tmp[1024]; @@ -811,12 +852,12 @@ int main(int argc, char *argv[]) snprintf(tmp, 1024, "%s1", outfile); split = merge_intensities(crystals1, n_crystals1, nthreads, pmodel, min_measurements, push_res); - write_reflist(tmp, split); + write_reflist_2(tmp, split, sym); reflist_free(split); snprintf(tmp, 1024, "%s2", outfile); split = merge_intensities(crystals2, n_crystals2, nthreads, pmodel, min_measurements, push_res); - write_reflist(tmp, split); + write_reflist_2(tmp, split, sym); reflist_free(split); /* Dump parameters */ |