diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/image.h | 12 | ||||
| -rw-r--r-- | src/indexamajig.c | 16 | ||||
| -rw-r--r-- | src/peaks.c | 77 | ||||
| -rw-r--r-- | src/peaks.h | 1 |
4 files changed, 86 insertions, 20 deletions
diff --git a/src/image.h b/src/image.h index 0479debc..85265028 100644 --- a/src/image.h +++ b/src/image.h @@ -67,6 +67,16 @@ struct rvec }; +struct reflhit { + signed int h; + signed int k; + signed int l; + double min_distance; + int x; + int y; +}; + + /* Structure describing an image */ struct image { @@ -77,6 +87,8 @@ struct image { int ncells; struct detector det; const char *filename; + struct reflhit *hits; + int n_hits; int id; diff --git a/src/indexamajig.c b/src/indexamajig.c index c21dc22f..db433369 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -67,6 +67,7 @@ struct process_args struct process_result { int hit; + int peaks_sane; }; @@ -194,6 +195,10 @@ static struct image *get_simage(struct image *template, int alternate) image->indexed_cell = template->indexed_cell; image->f0 = template->f0; + /* Prevent muppetry */ + image->hits = NULL; + image->n_hits = 0; + return image; } @@ -252,6 +257,8 @@ static void *process_image(void *pargsv) image.indexed_cell = NULL; image.id = pargs->id; image.filename = filename; + image.hits = NULL; + image.n_hits = 0; STATUS("Processing '%s'\n", image.filename); @@ -318,6 +325,15 @@ static void *process_image(void *pargsv) /* No cell at this point? Then we're done. */ if ( image.indexed_cell == NULL ) goto done; + /* Sanity check */ + if ( !peak_sanity_check(&image, image.indexed_cell) ) { + STATUS("Failed peak sanity check.\n"); + result->peaks_sane = 0; + goto done; + } else { + result->peaks_sane = 1; + } + /* Measure intensities if requested */ if ( config_nearbragg ) { /* Use original data (temporarily) */ diff --git a/src/peaks.c b/src/peaks.c index 20779bb3..fe5dcbea 100644 --- a/src/peaks.c +++ b/src/peaks.c @@ -44,15 +44,6 @@ /* Degree of polarisation of X-ray beam */ #define POL (1.0) -struct reflhit { - signed int h; - signed int k; - signed int l; - double min_distance; - int x; - int y; -}; - #define PEAK_WINDOW_SIZE (10) #define MAX_PEAKS (2048) @@ -385,23 +376,17 @@ void dump_peaks(struct image *image, pthread_mutex_t *mutex) } -void output_intensities(struct image *image, UnitCell *cell, - pthread_mutex_t *mutex, int unpolar) +static int find_projected_peaks(struct image *image, UnitCell *cell) { int x, y; double ax, ay, az; double bx, by, bz; double cx, cy, cz; - double a, b, c, al, be, ga; - double asx, asy, asz; - double bsx, bsy, bsz; - double csx, csy, csz; - struct reflhit hits[MAX_HITS]; + struct reflhit *hits; int n_hits = 0; - int i; - int n_found; - int n_indclose = 0; - int n_foundclose = 0; + + hits = malloc(sizeof(struct reflhit)*MAX_HITS); + if ( hits == NULL ) return 0; cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); @@ -462,6 +447,58 @@ void output_intensities(struct image *image, UnitCell *cell, } STATUS("Found %i reflections\n", n_hits); + image->hits = hits; + image->n_hits = n_hits; + + return n_hits; +} + + +int peak_sanity_check(struct image *image, UnitCell *cell) +{ + int i; + const int n_hits = image->n_hits; + const struct reflhit *hits = image->hits; + int n_sane = 0; + + find_projected_peaks(image, cell); + if ( image->n_hits == 0 ) return 0; /* Failed sanity check: no peaks */ + + for ( i=0; i<n_hits; i++ ) { + + double d; + int idx; + struct imagefeature *f; + + f = image_feature_closest(image->features, hits[i].x, hits[i].y, + &d, &idx); + if ( (f != NULL) && (d < PEAK_CLOSE) ) { + n_sane++; + } + + } + + if ( (float)n_sane / (float)n_hits < 0.8 ) return 0; + + return 1; +} + + +void output_intensities(struct image *image, UnitCell *cell, + pthread_mutex_t *mutex, int unpolar) +{ + int i; + int n_found; + int n_indclose = 0; + int n_foundclose = 0; + double asx, asy, asz; + double bsx, bsy, bsz; + double csx, csy, csz; + double a, b, c, al, be, ga; + int n_hits = image->n_hits; + struct reflhit *hits = image->hits; + + if ( image->n_hits == 0 ) return; /* Get exclusive access to the output stream if necessary */ if ( mutex != NULL ) pthread_mutex_lock(mutex); diff --git a/src/peaks.h b/src/peaks.h index fa912455..10cf5b0a 100644 --- a/src/peaks.h +++ b/src/peaks.h @@ -23,5 +23,6 @@ extern void search_peaks(struct image *image); extern void dump_peaks(struct image *image, pthread_mutex_t *mutex); extern void output_intensities(struct image *image, UnitCell *cell, pthread_mutex_t *mutex, int unpolar); +extern int peak_sanity_check(struct image *image, UnitCell *cell); #endif /* PEAKS_H */ |