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Diffstat (limited to 'src/peaks.c')
-rw-r--r--src/peaks.c80
1 files changed, 40 insertions, 40 deletions
diff --git a/src/peaks.c b/src/peaks.c
index 0cf7c232..e70ebfe2 100644
--- a/src/peaks.c
+++ b/src/peaks.c
@@ -33,7 +33,7 @@
/* Maximum number of peaks which may be predicted by find_projected_peaks() */
-#define MAX_HITS (1024)
+#define MAX_CPEAKS (1024)
/* How close a peak must be to an indexed position to be considered "close"
* for the purposes of double hit detection and sanity checking. */
@@ -495,12 +495,12 @@ int find_projected_peaks(struct image *image, UnitCell *cell,
double ax, ay, az;
double bx, by, bz;
double cx, cy, cz;
- struct reflhit *hits;
- int n_hits = 0;
+ struct cpeak *cpeaks;
+ int n_cpeaks = 0;
double alen, blen, clen;
- hits = malloc(sizeof(struct reflhit)*MAX_HITS);
- if ( hits == NULL ) return 0;
+ cpeaks = malloc(sizeof(struct cpeak)*MAX_CPEAKS);
+ if ( cpeaks == NULL ) return 0;
/* "Borrow" direction values to get reciprocal lengths */
cell_get_reciprocal(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz);
@@ -547,14 +547,14 @@ int find_projected_peaks(struct image *image, UnitCell *cell,
if ( dist > domain_r ) continue;
}
- for ( j=0; j<n_hits; j++ ) {
- if ( (hits[j].h == h) && (hits[j].k == k)
- && (hits[j].l == l) ) {
+ for ( j=0; j<n_cpeaks; j++ ) {
+ if ( (cpeaks[j].h == h) && (cpeaks[j].k == k)
+ && (cpeaks[j].l == l) ) {
- if ( dist < hits[j].min_distance ) {
- hits[j].min_distance = dist;
- hits[j].x = x;
- hits[j].y = y;
+ if ( dist < cpeaks[j].min_distance ) {
+ cpeaks[j].min_distance = dist;
+ cpeaks[j].x = x;
+ cpeaks[j].y = y;
}
found = 1;
@@ -563,14 +563,14 @@ int find_projected_peaks(struct image *image, UnitCell *cell,
}
if ( !found ) {
- hits[n_hits].min_distance = dist;
- hits[n_hits].x = x;
- hits[n_hits].y = y;
- hits[n_hits].h = h;
- hits[n_hits].k = k;
- hits[n_hits].l = l;
- n_hits++;
- if ( n_hits == MAX_HITS ) {
+ cpeaks[n_cpeaks].min_distance = dist;
+ cpeaks[n_cpeaks].x = x;
+ cpeaks[n_cpeaks].y = y;
+ cpeaks[n_cpeaks].h = h;
+ cpeaks[n_cpeaks].k = k;
+ cpeaks[n_cpeaks].l = l;
+ n_cpeaks++;
+ if ( n_cpeaks == MAX_CPEAKS ) {
ERROR("Unit cell is insanely large!\n");
goto out;
}
@@ -580,11 +580,11 @@ int find_projected_peaks(struct image *image, UnitCell *cell,
}
out:
- STATUS("Found %i reflections\n", n_hits);
- image->hits = hits;
- image->n_hits = n_hits;
+ STATUS("Found %i reflections\n", n_cpeaks);
+ image->cpeaks = cpeaks;
+ image->n_cpeaks = n_cpeaks;
- return n_hits;
+ return n_cpeaks;
}
@@ -710,10 +710,10 @@ void output_intensities(struct image *image, UnitCell *cell,
double bsx, bsy, bsz;
double csx, csy, csz;
- if ( image->n_hits == 0 ) {
+ if ( image->n_cpeaks == 0 ) {
find_projected_peaks(image, cell, circular_domain, domain_r);
}
- if ( image->n_hits == 0 ) return;
+ if ( image->n_cpeaks == 0 ) return;
/* Get exclusive access to the output stream if necessary */
if ( mutex != NULL ) pthread_mutex_lock(mutex);
@@ -724,7 +724,7 @@ void output_intensities(struct image *image, UnitCell *cell,
&bsx, &bsy, &bsz,
&csx, &csy, &csz);
- for ( i=0; i<image->n_hits; i++ ) {
+ for ( i=0; i<image->n_cpeaks; i++ ) {
float x, y, intensity;
double d;
@@ -738,8 +738,8 @@ void output_intensities(struct image *image, UnitCell *cell,
if ( image->features != NULL ) {
f = image_feature_closest(image->features,
- image->hits[i].x,
- image->hits[i].y,
+ image->cpeaks[i].x,
+ image->cpeaks[i].y,
&d, &idx);
} else {
f = NULL;
@@ -773,8 +773,8 @@ void output_intensities(struct image *image, UnitCell *cell,
int r;
r = integrate_peak(image,
- image->hits[i].x,
- image->hits[i].y,
+ image->cpeaks[i].x,
+ image->cpeaks[i].y,
&x, &y, &intensity, &bg, &max,
polar, sa);
if ( r ) {
@@ -794,8 +794,8 @@ void output_intensities(struct image *image, UnitCell *cell,
int r;
r = integrate_peak(image,
- image->hits[i].x,
- image->hits[i].y,
+ image->cpeaks[i].x,
+ image->cpeaks[i].y,
&x, &y, &intensity, &bg, &max, polar,
sa);
if ( r ) {
@@ -808,11 +808,11 @@ void output_intensities(struct image *image, UnitCell *cell,
/* Write h,k,l, integrated intensity and centroid coordinates */
fprintf(ofh, "%3i %3i %3i %6f (at %5.2f,%5.2f) max=%6f bg=%6f\n",
- image->hits[i].h, image->hits[i].k, image->hits[i].l,
+ image->cpeaks[i].h, image->cpeaks[i].k, image->cpeaks[i].l,
intensity, x, y, max, bg);
- image->hits[i].x = x;
- image->hits[i].y = y;
+ image->cpeaks[i].x = x;
+ image->cpeaks[i].y = y;
}
@@ -826,12 +826,12 @@ void output_intensities(struct image *image, UnitCell *cell,
if ( f == NULL ) continue;
- for ( j=0; j<image->n_hits; j++ ) {
+ for ( j=0; j<image->n_cpeaks; j++ ) {
double d;
- d = pow(image->hits[j].x-f->x, 2.0)
- + pow(image->hits[j].y-f->y, 2.0);
+ d = pow(image->cpeaks[j].x-f->x, 2.0)
+ + pow(image->cpeaks[j].y-f->y, 2.0);
if ( d < PEAK_CLOSE ) n_foundclose++;
@@ -842,7 +842,7 @@ void output_intensities(struct image *image, UnitCell *cell,
fprintf(ofh, "Peak statistics: %i peaks found by the peak search out of "
"%i were close to indexed positions. "
"%i indexed positions out of %i were close to detected peaks.\n",
- n_foundclose, n_found, n_indclose, image->n_hits);
+ n_foundclose, n_found, n_indclose, image->n_cpeaks);
fprintf(ofh, "%i integrations using indexed locations were aborted because "
"they hit one or more bad pixels.\n", n_veto);
fprintf(ofh, "%i integrations using peak search locations were aborted "
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-18 22:38:33 +0000