diff options
author | Thomas White <taw@physics.org> | 2010-01-19 17:40:19 +0100 |
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committer | Thomas White <taw@physics.org> | 2010-01-19 17:40:19 +0100 |
commit | a4c5daf2f0f37577798af0de5cd31dc81f87eec5 (patch) | |
tree | e3ea444c9516e2045c8ab6cf6ee5743bd1ac383b /src/indexamajig.c | |
parent | b04befccb98fe1bf32829168c8f95b7762b8162e (diff) |
Use "fine" peak search for hit finding (it's fast enough)
Diffstat (limited to 'src/indexamajig.c')
-rw-r--r-- | src/indexamajig.c | 36 |
1 files changed, 20 insertions, 16 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 17151581..3cd3a408 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -117,7 +117,6 @@ int main(int argc, char *argv[]) char line[1024]; struct hdfile *hdfile; struct image image; - int fom; rval = fgets(line, 1023, fh); if ( rval == NULL ) continue; @@ -141,26 +140,31 @@ int main(int argc, char *argv[]) hdf5_read(hdfile, &image); - fom = image_fom(&image); - if ( fom > 0 ) { + /* Perform 'fine' peak search */ + search_peaks(&image, config_dumpfound); - /* Calculate orientation matrix (by magic) */ - index_pattern(&image, config_noindex, config_dumpfound, - config_dirax); + if ( image_feature_count(image.features) > 25 ) { - if ( image.molecule == NULL ) goto done; + n_hits++; - /* View head-on (unit cell is tilted) */ - image.orientation.w = 1.0; - image.orientation.x = 0.0; - image.orientation.y = 0.0; - image.orientation.z = 0.0; - get_ewald(&image); + if ( !config_noindex ) { - /* Read h,k,l,I */ - output_intensities(&image); + /* Calculate orientation matrix (by magic) */ + index_pattern(&image, config_noindex, + config_dirax); - n_hits++; + if ( image.molecule == NULL ) goto done; + + /* View head-on (unit cell is tilted) */ + image.orientation.w = 1.0; + image.orientation.x = 0.0; + image.orientation.y = 0.0; + image.orientation.z = 0.0; + get_ewald(&image); + + /* Read h,k,l,I */ + output_intensities(&image); + } } |