diff options
| -rw-r--r-- | src/control.c | 2 | ||||
| -rw-r--r-- | src/refine.c | 9 | ||||
| -rw-r--r-- | src/reflections.c | 23 | ||||
| -rw-r--r-- | src/reflections.h | 1 | ||||
| -rw-r--r-- | src/reproject.c | 33 | ||||
| -rw-r--r-- | src/reproject.h | 1 |
6 files changed, 55 insertions, 14 deletions
diff --git a/src/control.c b/src/control.c index f5b5b12..0346e7a 100644 --- a/src/control.c +++ b/src/control.c @@ -30,6 +30,8 @@ ControlContext *control_ctx_new() { ctx->images = image_list_new(); ctx->reflectionlist = NULL; ctx->refine_window = NULL; + ctx->cell_lattice = NULL; + ctx->reproject_id = NULL; return ctx; diff --git a/src/refine.c b/src/refine.c index c996691..01c4bcb 100644 --- a/src/refine.c +++ b/src/refine.c @@ -64,12 +64,11 @@ typedef enum { } RefinementIndex; /* Use the IPR algorithm to make "cell" fit the given image */ -static void refine_fit_image(Basis *cell, ImageRecord *image) { +static void refine_fit_image(Basis *cell, ImageRecord *image, ReflectionList *cell_lattice) { ImageFeatureList *rflist; ImageFeatureList *flist; int i; - ReflectionList *cell_lattice; Basis cd; /* Cell delta */ int n_a = 0; int n_b = 0; @@ -79,7 +78,6 @@ static void refine_fit_image(Basis *cell, ImageRecord *image) { 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; - cell_lattice = reflection_list_from_cell(cell); rflist = reproject_get_reflections(image, cell_lattice); flist = image->features; reproject_partner_features(rflist, image); @@ -226,8 +224,9 @@ static gint refine_graph(GtkWidget *step_button, ControlContext *ctx) { static gint refine_step(GtkWidget *step_button, ControlContext *ctx) { - if ( ctx->reproject_id ) { - refine_fit_image(ctx->cell, &ctx->images->images[ctx->reproject_cur_image]); + if ( (ctx->reproject_id) && (ctx->cell_lattice) ) { + refine_fit_image(ctx->cell, &ctx->images->images[ctx->reproject_cur_image], ctx->cell_lattice); + reproject_lattice_changed(ctx); } else { displaywindow_error("Please first open the reprojection window and select the image to fit", ctx->dw); } diff --git a/src/reflections.c b/src/reflections.c index 9f3f1c8..3060bfd 100644 --- a/src/reflections.c +++ b/src/reflections.c @@ -223,7 +223,6 @@ ReflectionList *reflection_list_from_cell(Basis *basis) { signed int h, k, l; int max_order_a, max_order_b, max_order_c; - max_res = 20e9; ordered = reflectionlist_new(); @@ -261,3 +260,25 @@ ReflectionList *reflection_list_from_cell(Basis *basis) { } +void reflection_list_from_new_cell(ReflectionList *ordered, Basis *basis) { + + Reflection *ref; + + ref = ordered->reflections; + + while ( ref ) { + + signed int h, k, l; + + h = ref->h; k = ref->k; l = ref->l; + + ref->x = h*basis->a.x + k*basis->b.x + l*basis->c.x; + ref->y = h*basis->a.y + k*basis->b.y + l*basis->c.y; + ref->z = h*basis->a.z + k*basis->b.z + l*basis->c.z; + + ref = ref->next; + + } + +} + diff --git a/src/reflections.h b/src/reflections.h index 7f287a1..9158d27 100644 --- a/src/reflections.h +++ b/src/reflections.h @@ -70,6 +70,7 @@ extern Reflection *reflectionlist_find_nearest_type(ReflectionList *reflectionli #include "basis.h" extern ReflectionList *reflection_list_from_cell(Basis *basis); +extern void reflection_list_from_new_cell(ReflectionList *ordered, Basis *basis); #endif /* REFLECTION_H */ diff --git a/src/reproject.c b/src/reproject.c index c41f173..c0dfc73 100644 --- a/src/reproject.c +++ b/src/reproject.c @@ -259,24 +259,41 @@ static void reproject_mark_peaks(ControlContext *ctx) { image_feature_list_free(rflist); } - -static gint reproject_clicked(GtkWidget *widget, GdkEventButton *event, ControlContext *ctx) { - - - ctx->reproject_cur_image++; - if ( ctx->reproject_cur_image == ctx->images->n_images ) ctx->reproject_cur_image = 0; +static void reproject_update(ControlContext *ctx) { + imagedisplay_clear_marks(ctx->reproject_id); - reflectionlist_clear_markers(ctx->reflectionlist); + //reflectionlist_clear_markers(ctx->reflectionlist); reproject_mark_peaks(ctx); imagedisplay_put_data(ctx->reproject_id, ctx->images->images[ctx->reproject_cur_image]); +} + +static gint reproject_clicked(GtkWidget *widget, GdkEventButton *event, ControlContext *ctx) { + + ctx->reproject_cur_image++; + if ( ctx->reproject_cur_image == ctx->images->n_images ) ctx->reproject_cur_image = 0; + + reproject_update(ctx); + return 0; } +void reproject_lattice_changed(ControlContext *ctx) { + + if ( ctx->cell_lattice ) { + reflection_list_from_new_cell(ctx->cell_lattice, ctx->cell); + } else { + ctx->cell_lattice = reflection_list_from_cell(ctx->cell); + } + + if ( ctx->reproject_id ) reproject_update(ctx); + +} + static gint reproject_closed(GtkWidget *widget, ControlContext *ctx) { ctx->reproject_id = NULL; return 0; @@ -301,8 +318,8 @@ void reproject_open(ControlContext *ctx) { return; } - ctx->cell_lattice = reflection_list_from_cell(ctx->cell); ctx->reproject_cur_image = 0; + reproject_lattice_changed(ctx); ctx->reproject_id = imagedisplay_open_with_message(ctx->images->images[ctx->reproject_cur_image], "Reprojected Diffraction Pattern", "Click to change image", diff --git a/src/reproject.h b/src/reproject.h index a0dfd5f..9964048 100644 --- a/src/reproject.h +++ b/src/reproject.h @@ -22,6 +22,7 @@ extern ImageFeatureList *reproject_get_reflections(ImageRecord *image, ReflectionList *reflectionlist); extern void reproject_partner_features(ImageFeatureList *flist, ImageRecord *image); extern void reproject_open(ControlContext *ctx); +extern void reproject_lattice_changed(ControlContext *ctx); #endif /* REPROJECT_H */ |