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-rw-r--r--src/image.c1
-rw-r--r--src/image.h3
-rw-r--r--src/refine.c68
-rw-r--r--src/reproject.c29
4 files changed, 55 insertions, 46 deletions
diff --git a/src/image.c b/src/image.c
index 8eba5f9..3bb6ba1 100644
--- a/src/image.c
+++ b/src/image.c
@@ -37,6 +37,7 @@ int image_add(ImageList *list, uint16_t *image, int width, int height, double ti
list->images[list->n_images].y_centre = ctx->y_centre;
list->images[list->n_images].slop = 0.0;
list->images[list->n_images].features = NULL;
+ list->images[list->n_images].rflist = NULL;
if ( ctx->fmode == FORMULATION_PIXELSIZE ) {
list->images[list->n_images].pixel_size = ctx->pixel_size;
diff --git a/src/image.h b/src/image.h
index ff18580..178f363 100644
--- a/src/image.h
+++ b/src/image.h
@@ -59,7 +59,8 @@ typedef struct imagerecord_struct {
int x_centre;
int y_centre;
- ImageFeatureList *features;
+ ImageFeatureList *features; /* "Experimental" features */
+ ImageFeatureList *rflist; /* "Predicted" features */
} ImageRecord;
diff --git a/src/refine.c b/src/refine.c
index da578b4..9b901d0 100644
--- a/src/refine.c
+++ b/src/refine.c
@@ -88,10 +88,8 @@ static const char *refine_decode(RefinementIndex i) {
/* Use the IPR algorithm to make "cell" fit the given image */
static ImageFeature *refine_fit_image(Basis *cell, ImageRecord *image, ReflectionList *cell_lattice) {
-
- ImageFeatureList *rflist;
+
ImageFeatureList *flist;
- ImageFeature *ret;
int i;
Basis cd; /* Cell delta */
int n_a = 0;
@@ -103,11 +101,12 @@ static ImageFeature *refine_fit_image(Basis *cell, ImageRecord *image, Reflectio
cd.b.x = 0.0; cd.b.y = 0.0; cd.b.z = 0.0;
cd.c.x = 0.0; cd.c.y = 0.0; cd.c.z = 0.0;
- rflist = reproject_get_reflections(image, cell_lattice);
+ if ( !image->rflist ) {
+ image->rflist = reproject_get_reflections(image, cell_lattice);
+ }
flist = image->features;
- reproject_partner_features(rflist, image);
- for ( i=0; i<rflist->n_features; i++ ) {
+ for ( i=0; i<image->rflist->n_features; i++ ) {
double dix, diy;
double dx, dy, dz, twotheta;
@@ -118,25 +117,25 @@ static ImageFeature *refine_fit_image(Basis *cell, ImageRecord *image, Reflectio
double dh, dk, dl;
/* Skip if no partner */
- if ( !rflist->features[i].partner ) continue;
+ if ( !image->rflist->features[i].partner ) continue;
- h = rflist->features[i].h;
- k = rflist->features[i].k;
- l = rflist->features[i].l;
+ h = image->rflist->features[i].h;
+ k = image->rflist->features[i].k;
+ l = image->rflist->features[i].l;
/* Determine the difference vector */
- dix = rflist->features[i].partner->x - rflist->features[i].x;
- diy = rflist->features[i].partner->y - rflist->features[i].y;
+ dix = image->rflist->features[i].partner->x - image->rflist->features[i].x;
+ diy = image->rflist->features[i].partner->y - image->rflist->features[i].y;
// printf("RF: Feature %3i: %3i %3i %3i dev = %f %f px\n", i, h, k, l, dix, diy);
/* Map the difference vector to the relevant tilted plane */
- old_x = rflist->features[i].partner->x;
- old_y = rflist->features[i].partner->y;
- rflist->features[i].partner->x = dix + rflist->features[i].partner->parent->x_centre;
- rflist->features[i].partner->y = diy + rflist->features[i].partner->parent->y_centre;
- mapping_map_to_space(rflist->features[i].partner, &dx, &dy, &dz, &twotheta);
- rflist->features[i].partner->x = old_x;
- rflist->features[i].partner->y = old_y;
+ old_x = image->rflist->features[i].partner->x;
+ old_y = image->rflist->features[i].partner->y;
+ image->rflist->features[i].partner->x = dix + image->rflist->features[i].partner->parent->x_centre;
+ image->rflist->features[i].partner->y = diy + image->rflist->features[i].partner->parent->y_centre;
+ mapping_map_to_space(image->rflist->features[i].partner, &dx, &dy, &dz, &twotheta);
+ image->rflist->features[i].partner->x = old_x;
+ image->rflist->features[i].partner->y = old_y;
// printf("RF: dev=%8e %8e %8e (%5f mrad)\n", dx, dy, dz, twotheta*1e3);
/* Select the basis vectors which are allowed to be altered */
@@ -230,8 +229,7 @@ static ImageFeature *refine_fit_image(Basis *cell, ImageRecord *image, Reflectio
cell->b.x += cd.b.x; cell->b.y += cd.b.y; cell->b.z += cd.b.z;
cell->c.x += cd.c.x; cell->c.y += cd.c.y; cell->c.z += cd.c.z;
- ret = rflist->features[i].partner;
- image_feature_list_free(rflist);
+ //return image->rflist->features[i].partner;
return NULL;
@@ -307,32 +305,33 @@ static int refine_sequence_sweep(ControlContext *ctx, double *fit, double *warp)
/* Ensure lattice is up to date */
reproject_lattice_changed(ctx);
+ ctx->images->images[i].rflist = NULL; /* Invalidate reprojection for this image - it's wrong */
if ( is_odd(i) ) {
/* Odd-numbered images: measure */
- ImageFeatureList *rflist;
ImageFeatureList *flist;
ImageRecord *image;
int j, n;
double image_dev_mean = 0;
image = &ctx->images->images[i];
- rflist = reproject_get_reflections(image, ctx->cell_lattice);
+ if ( !image->rflist ) {
+ image->rflist = reproject_get_reflections(image, ctx->cell_lattice);
+ }
flist = image->features;
- reproject_partner_features(rflist, image);
n = 0;
- for ( j=0; j<rflist->n_features; j++ ) {
+ for ( j=0; j<image->rflist->n_features; j++ ) {
double dix, diy;
/* Skip if no partner */
- if ( !rflist->features[j].partner ) continue;
+ if ( !image->rflist->features[j].partner ) continue;
/* Determine the difference vector */
- dix = rflist->features[j].partner->x - rflist->features[j].x;
- diy = rflist->features[j].partner->y - rflist->features[j].y;
+ dix = image->rflist->features[j].partner->x - image->rflist->features[j].x;
+ diy = image->rflist->features[j].partner->y - image->rflist->features[j].y;
image_dev_mean += sqrt(dix*dix + diy*diy);
n++;
@@ -345,14 +344,11 @@ static int refine_sequence_sweep(ControlContext *ctx, double *fit, double *warp)
series_dev_mean += image_dev_mean;
series_dev_n++;
- image_feature_list_free(rflist);
-
} else {
/* Even-numbered images: fit */
refine_fit_image(ctx->cell, &ctx->images->images[i], ctx->cell_lattice);
- //displaywindow_update(ctx->dw);
-
+
}
}
@@ -375,6 +371,7 @@ static gint refine_sequence(GtkWidget *step_button, ControlContext *ctx) {
GtkWidget *graph_warp;
double *warp_vals;
size_t idx;
+ ImageDisplay *id;
fit_vals = malloc(401*sizeof(double));
warp_vals = malloc(401*sizeof(double));
@@ -385,6 +382,10 @@ static gint refine_sequence(GtkWidget *step_button, ControlContext *ctx) {
return 0;
}
+ /* Temporarily disable ImageDisplay stuff */
+ id = ctx->reproject_id;
+ ctx->reproject_id = NULL;
+
for ( omega_offs=-2.0; omega_offs<=2.0; omega_offs+=0.01 ) {
double fit, warp;
@@ -411,6 +412,9 @@ static gint refine_sequence(GtkWidget *step_button, ControlContext *ctx) {
}
+ ctx->reproject_id = id;
+ reproject_lattice_changed(ctx);
+
window_fit = gtk_window_new(GTK_WINDOW_TOPLEVEL);
gtk_window_set_default_size(GTK_WINDOW(window_fit), 640, 256);
gtk_window_set_title(GTK_WINDOW(window_fit), "Omega-Search Graph: Fit");
diff --git a/src/reproject.c b/src/reproject.c
index db471fa..9efe965 100644
--- a/src/reproject.c
+++ b/src/reproject.c
@@ -18,6 +18,7 @@
#include "imagedisplay.h"
#include "displaywindow.h"
#include "image.h"
+#include "reproject.h"
ImageFeatureList *reproject_get_reflections(ImageRecord *image, ReflectionList *reflectionlist) {
@@ -174,6 +175,8 @@ ImageFeatureList *reproject_get_reflections(ImageRecord *image, ReflectionList *
} while ( reflection );
+ reproject_partner_features(flist, image);
+
return flist;
}
@@ -202,40 +205,40 @@ void reproject_partner_features(ImageFeatureList *flist, ImageRecord *image) {
static void reproject_mark_peaks(ControlContext *ctx) {
- ImageFeatureList *rflist;
ImageFeatureList *flist;
size_t j;
+ ImageRecord *image;
+
+ image = &ctx->images->images[ctx->reproject_cur_image];
/* Draw the reprojected peaks */
- rflist = reproject_get_reflections(&ctx->images->images[ctx->reproject_cur_image], ctx->cell_lattice);
- for ( j=0; j<rflist->n_features; j++ ) {
- imagedisplay_add_mark(ctx->reproject_id, rflist->features[j].x, rflist->features[j].y, IMAGEDISPLAY_MARK_CIRCLE_1);
+ if ( !image->rflist ) {
+ image->rflist = reproject_get_reflections(image, ctx->cell_lattice);
+ }
+ for ( j=0; j<image->rflist->n_features; j++ ) {
+ imagedisplay_add_mark(ctx->reproject_id, image->rflist->features[j].x, image->rflist->features[j].y, IMAGEDISPLAY_MARK_CIRCLE_1);
}
/* Now draw the original measured peaks */
- flist = ctx->images->images[ctx->reproject_cur_image].features;
+ flist = image->features;
for ( j=0; j<flist->n_features; j++ ) {
imagedisplay_add_mark(ctx->reproject_id, flist->features[j].x, flist->features[j].y, IMAGEDISPLAY_MARK_CIRCLE_2);
}
/* Now connect partners */
- reproject_partner_features(rflist, &ctx->images->images[ctx->reproject_cur_image]);
- for ( j=0; j<rflist->n_features; j++ ) {
- if ( rflist->features[j].partner ) {
- imagedisplay_add_line(ctx->reproject_id, rflist->features[j].x, rflist->features[j].y,
- rflist->features[j].partner->x, rflist->features[j].partner->y,
+ for ( j=0; j<image->rflist->n_features; j++ ) {
+ if ( image->rflist->features[j].partner ) {
+ imagedisplay_add_line(ctx->reproject_id, image->rflist->features[j].x, image->rflist->features[j].y,
+ image->rflist->features[j].partner->x, image->rflist->features[j].partner->y,
IMAGEDISPLAY_MARK_LINE_1);
}
}
- image_feature_list_free(rflist);
-
}
static void reproject_update(ControlContext *ctx) {
imagedisplay_clear_marks(ctx->reproject_id);
- //reflectionlist_clear_markers(ctx->reflectionlist);
reproject_mark_peaks(ctx);
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-17 09:16:06 +0000