diff options
| author | Thomas White <taw@bitwiz.org.uk> | 2011-02-11 12:37:03 -0800 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:14 +0100 |
| commit | aab9901f18326214746402650179a13f22770118 (patch) | |
| tree | 445663c658cd5a1cb58304145c3878ce31126a0a /src/peaks.c | |
| parent | 91ffa38ff55e08ed7faf60b2e6b1c8ba27e89f5c (diff) | |
Make find_projected_peaks() behave like find_intersections()
Also make sure output_intensities() deals only with integration
Diffstat (limited to 'src/peaks.c')
| -rw-r--r-- | src/peaks.c | 21 |
1 files changed, 7 insertions, 14 deletions
diff --git a/src/peaks.c b/src/peaks.c index fa0d2843..c9dbe8e0 100644 --- a/src/peaks.c +++ b/src/peaks.c @@ -473,8 +473,8 @@ void dump_peaks(struct image *image, FILE *ofh, pthread_mutex_t *mutex) } -int find_projected_peaks(struct image *image, UnitCell *cell, - int circular_domain, double domain_r) +RefList *find_projected_peaks(struct image *image, UnitCell *cell, + int circular_domain, double domain_r) { int x, y; double ax, ay, az; @@ -550,9 +550,7 @@ int find_projected_peaks(struct image *image, UnitCell *cell, optimise_reflist(reflections); STATUS("Found %i reflections\n", n_reflections); - image->reflections = reflections; - - return n_reflections; + return reflections; } @@ -664,9 +662,8 @@ static void output_header(FILE *ofh, UnitCell *cell, struct image *image) void output_intensities(struct image *image, UnitCell *cell, - pthread_mutex_t *mutex, int polar, - int use_closer, FILE *ofh, - int circular_domain, double domain_r) + RefList *reflections, pthread_mutex_t *mutex, int polar, + int use_closer, FILE *ofh) { double asx, asy, asz; double bsx, bsy, bsz; @@ -674,10 +671,6 @@ void output_intensities(struct image *image, UnitCell *cell, Reflection *refl; RefListIterator *iter; - if ( image->reflections == NULL ) { - find_projected_peaks(image, cell, circular_domain, domain_r); - } - /* Get exclusive access to the output stream if necessary */ if ( mutex != NULL ) pthread_mutex_lock(mutex); @@ -687,7 +680,7 @@ void output_intensities(struct image *image, UnitCell *cell, &bsx, &bsy, &bsz, &csx, &csy, &csz); - for ( refl = first_refl(image->reflections, &iter); + for ( refl = first_refl(reflections, &iter); refl != NULL; refl = next_refl(refl, iter) ) { @@ -768,7 +761,7 @@ void output_intensities(struct image *image, UnitCell *cell, /* Write h,k,l, integrated intensity and centroid coordinates */ get_indices(refl, &h, &k, &l); fprintf(ofh, "%3i %3i %3i %6f (at %5.2f,%5.2f) max=%6f bg=%6f\n", - h, l, l, intensity, x, y, max, bg); + h, k, l, intensity, x, y, max, bg); } |