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-rw-r--r--src/geometry.c2
-rw-r--r--src/templates.c90
2 files changed, 74 insertions, 18 deletions
diff --git a/src/geometry.c b/src/geometry.c
index 16914994..d91e89bc 100644
--- a/src/geometry.c
+++ b/src/geometry.c
@@ -121,6 +121,8 @@ struct reflhit *find_intersections(struct image *image, UnitCell *cell,
hits[np].h = h;
hits[np].k = k;
hits[np].l = l;
+ hits[np].x = xda;
+ hits[np].y = yda;
np++;
if ( output ) {
diff --git a/src/templates.c b/src/templates.c
index d2d4de7b..1bc47ff9 100644
--- a/src/templates.c
+++ b/src/templates.c
@@ -231,6 +231,7 @@ static double integrate_all_rot(struct image *image, struct reflhit *hits,
double itot = 0.0;
int i;
double cosr, sinr;
+ int num_int = 0;
cosr = cos(rot);
sinr = sin(rot);
@@ -243,10 +244,59 @@ static double integrate_all_rot(struct image *image, struct reflhit *hits,
yp = -sinr*hits[i].x + cosr*hits[i].y;
itot += fast_integrate_peak(image, rint(xp), rint(yp));
+ num_int++;
}
- return itot;
+ return itot / num_int;
+}
+
+
+/* Return the mean of the distances between peaks in the image and peaks from
+ * the given template. */
+static double mean_distance(struct image *image, struct reflhit *hits,
+ int n, double rot)
+{
+ double dtot = 0.0;
+ int i;
+ double cosr, sinr;
+ int num_dist = 0;
+
+ cosr = cos(rot);
+ sinr = sin(rot);
+
+ /* For each template peak */
+ for ( i=0; i<n; i++ ) {
+
+ float xp, yp;
+ int j;
+ double min_dsq;
+
+ xp = cosr*hits[i].x + sinr*hits[i].y;
+ yp = -sinr*hits[i].x + cosr*hits[i].y;
+
+ /* Compare to every real peak */
+ min_dsq = +INFINITY;
+ for ( j=0; j<image_feature_count(image->features); j++ ) {
+
+ struct imagefeature *f;
+ double this_dsq;
+
+ f = image_get_feature(image->features, j);
+
+ this_dsq = pow(f->x - xp, 2.0) + pow(f->y - yp, 2.0);
+ if ( this_dsq < min_dsq ) min_dsq = this_dsq;
+
+ }
+
+ if ( min_dsq < pow(50.0, 2.0) ) {
+ dtot += sqrt(min_dsq);
+ num_dist++;
+ }
+
+ }
+
+ return dtot / num_dist;
}
@@ -255,10 +305,14 @@ void match_templates(struct image *image, IndexingPrivate *ipriv)
struct _indexingprivate_template *priv
= (struct _indexingprivate_template *)ipriv;
int i, max_i;
- double max, tot;
- double rot, rot_max, rot_step, rot_best;
+ double max, rot, rot_max, rot_step, rot_best;
+ const int peaks = 0;
- max = 0.0;
+ if ( peaks ) {
+ max = INFINITY;
+ } else {
+ max = 0.0;
+ }
max_i = 0;
rot_max = 2.0*M_PI;
rot_step = 2.0*M_PI / 360.0; /* 1 deg steps */
@@ -268,11 +322,19 @@ void match_templates(struct image *image, IndexingPrivate *ipriv)
for ( rot=0.0; rot<rot_max; rot+=rot_step ) {
double val;
+ int best;
+
+ if ( !peaks ) {
+ val = integrate_all_rot(image, priv->templates[i].spots,
+ priv->templates[i].n, rot);
+ best = val > max;
+ } else {
+ val = mean_distance(image, priv->templates[i].spots,
+ priv->templates[i].n, rot);
+ best = val < max;
+ }
- val = integrate_all_rot(image, priv->templates[i].spots,
- priv->templates[i].n, rot);
-
- if ( val > max ) {
+ if ( best ) {
max = val;
max_i = i;
rot_best = rot;
@@ -282,18 +344,10 @@ void match_templates(struct image *image, IndexingPrivate *ipriv)
progress_bar(i, priv->n_templates-1, "Indexing");
}
- tot = 0.0;
- for ( i=0; i<(image->width*image->height); i++ ) {
- int val;
- val = image->data[i];
- if ( val < THRESHOLD ) continue;
- tot += val;
- }
-
- STATUS("%i (%.2f, %.2f, %.2f): %.2f%%\n", max_i,
+ STATUS("%i (%.2f, %.2f, %.2f): %.2f\n", max_i,
rad2deg(priv->templates[max_i].omega),
rad2deg(priv->templates[max_i].phi),
- rad2deg(rot_best), 100.0 * max / tot);
+ rad2deg(rot_best), max);
image->ncells = 1;
image->candidate_cells[0] = rotate_cell(priv->cell,