GUI: Add interface for --fix-profile-radius and --fix-divergence

5 files changed, 119 insertions, 1 deletions

diff --git a/src/crystfelindexingopts.c b/src/crystfelindexingopts.c
index 82e0fa60..de83c731 100644
--- a/src/crystfelindexingopts.c
+++ b/src/crystfelindexingopts.c
@@ -464,8 +464,40 @@ static GtkWidget *integration_parameters(CrystFELIndexingOpts *io)
 	gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(io->ir_out),
 	                   FALSE, FALSE, 4.0);
 
-	/* FIXME: fix-bandwidth, divergence, profile-radius */
+	/* --fix-profile-radius */
+	hbox = gtk_box_new(GTK_ORIENTATION_HORIZONTAL, 0);
+	gtk_box_pack_start(GTK_BOX(box), GTK_WIDGET(hbox),
+	                   FALSE, FALSE, 4.0);
+	io->fix_profile_radius_p = gtk_check_button_new_with_label("Fix the reflection radius to");
+	gtk_box_pack_start(GTK_BOX(hbox),
+	                   GTK_WIDGET(io->fix_profile_radius_p),
+	                   FALSE, FALSE, 0.0);
+	io->fix_profile_radius = gtk_entry_new();
+	gtk_entry_set_width_chars(GTK_ENTRY(io->fix_profile_radius), 6);
+	gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(io->fix_profile_radius),
+	                   FALSE, FALSE, 4.0);
+	label = gtk_label_new("nm-1");
+	gtk_label_set_markup(GTK_LABEL(label), "nm<sup>-1</sup>");
+	gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(label),
+	                   FALSE, FALSE, 4.0);
+	i_disable_if_not(io->fix_profile_radius_p, io->fix_profile_radius);
+	gtk_widget_set_tooltip_text(io->fix_profile_radius,
+	                            "--fix-profile-radius");
 
+	/* --fix-divergence */
+	hbox = gtk_box_new(GTK_ORIENTATION_HORIZONTAL, 0);
+	gtk_box_pack_start(GTK_BOX(box), GTK_WIDGET(hbox),
+	                   FALSE, FALSE, 4.0);
+	label = gtk_label_new("Beam divergence (full angle) for spot prediction:");
+	gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(label), FALSE, FALSE, 0.0);
+	io->fix_divergence = gtk_entry_new();
+	gtk_entry_set_width_chars(GTK_ENTRY(io->fix_divergence), 6);
+	gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(io->fix_divergence),
+	                   FALSE, FALSE, 4.0);
+	label = gtk_label_new("mrad");
+	gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(label),
+	                   FALSE, FALSE, 4.0);
+	gtk_widget_set_tooltip_text(io->fix_profile_radius, "--fix-divergence");
 	gtk_widget_show_all(box);
 
 	return box;
@@ -879,6 +911,20 @@ char **crystfel_indexing_opts_get_metadata_to_copy(CrystFELIndexingOpts *opts,
 }
 
 
+double crystfel_indexing_opts_get_fixed_profile_radius(CrystFELIndexingOpts *opts,
+                                                       int *active)
+{
+	*active = get_bool(opts->fix_profile_radius_p);
+	return get_float(opts->fix_profile_radius)*1e9;
+}
+
+
+double crystfel_indexing_opts_get_fixed_divergence(CrystFELIndexingOpts *opts)
+{
+	return get_float(opts->fix_divergence)/1e3;
+}
+
+
 /********************** Setters *************************/
 
 
@@ -1137,3 +1183,23 @@ void crystfel_indexing_opts_set_exclude_reflections(CrystFELIndexingOpts *opts,
 	gtk_toggle_button_set_active(GTK_TOGGLE_BUTTON(opts->no_refls_in_stream),
 	                             flag);
 }
+
+
+void crystfel_indexing_opts_set_fixed_profile_radius(CrystFELIndexingOpts *opts,
+                                                     int active,
+                                                     double val)
+{
+	char tmp[64];
+	set_active(opts->fix_profile_radius_p, active);
+	snprintf(tmp, 63, "%.3f", val/1e9);
+	gtk_entry_set_text(GTK_ENTRY(opts->fix_profile_radius), tmp);
+}
+
+
+void crystfel_indexing_opts_set_fixed_divergence(CrystFELIndexingOpts *opts,
+                                                 double val)
+{
+	char tmp[64];
+	snprintf(tmp, 63, "%.3f", val*1e3);
+	gtk_entry_set_text(GTK_ENTRY(opts->fix_divergence), tmp);
+}
diff --git a/src/crystfelindexingopts.h b/src/crystfelindexingopts.h
index 72ca8c37..fe5f4ccd 100644
--- a/src/crystfelindexingopts.h
+++ b/src/crystfelindexingopts.h
@@ -79,6 +79,9 @@ struct _crystfelindexingopts
 	GtkWidget *ir_inn;
 	GtkWidget *ir_mid;
 	GtkWidget *ir_out;
+	GtkWidget *fix_profile_radius_p;
+	GtkWidget *fix_profile_radius;
+	GtkWidget *fix_divergence;
 
 	GtkWidget *exclude_nonhits;
 	GtkWidget *no_peaks_in_stream;
@@ -120,6 +123,14 @@ extern int crystfel_indexing_opts_get_exclude_peaks(CrystFELIndexingOpts *opts);
 extern int crystfel_indexing_opts_get_exclude_reflections(CrystFELIndexingOpts *opts);
 extern char **crystfel_indexing_opts_get_metadata_to_copy(CrystFELIndexingOpts *opts,
                                                           int *n);
+extern double crystfel_indexing_opts_get_fixed_profile_radius(CrystFELIndexingOpts *opts,
+                                                              int *active);
+extern double crystfel_indexing_opts_get_fixed_divergence(CrystFELIndexingOpts *opts);
+
+
+
+
+
 
 extern void crystfel_indexing_opts_set_show_stream_opts(CrystFELIndexingOpts *opts,
                                                         int val);
@@ -162,5 +173,11 @@ extern void crystfel_indexing_opts_set_exclude_peaks(CrystFELIndexingOpts *opts,
                                                      int flag);
 extern void crystfel_indexing_opts_set_exclude_reflections(CrystFELIndexingOpts *opts,
                                                            int flag);
+extern void crystfel_indexing_opts_set_fixed_profile_radius(CrystFELIndexingOpts *opts,
+                                                            int active,
+                                                            double val);
+extern void crystfel_indexing_opts_set_fixed_divergence(CrystFELIndexingOpts *opts,
+                                                        double val);
+
 
 #endif	/* CRYSTFELINDEXINGOPTS_H */
diff --git a/src/gui_index.c b/src/gui_index.c
index 4b7254de..c04ee197 100644
--- a/src/gui_index.c
+++ b/src/gui_index.c
@@ -122,6 +122,9 @@ static void get_indexing_opts(struct crystfelproject *proj,
 	                                             &proj->indexing_params.ir_inn,
 	                                             &proj->indexing_params.ir_mid,
 	                                             &proj->indexing_params.ir_out);
+	proj->indexing_params.fix_profile_radius = crystfel_indexing_opts_get_fixed_profile_radius(opts,
+	                                      &proj->indexing_params.use_fix_profile_radius);
+	proj->indexing_params.fix_divergence = crystfel_indexing_opts_get_fixed_divergence(opts);
 
 	/* Stream output */
 	proj->indexing_params.exclude_nonhits = crystfel_indexing_opts_get_exclude_blanks(opts);
@@ -298,6 +301,11 @@ static void set_indexing_opts(struct crystfelproject *proj,
 	                                             proj->indexing_params.ir_inn,
 	                                             proj->indexing_params.ir_mid,
 	                                             proj->indexing_params.ir_out);
+	crystfel_indexing_opts_set_fixed_profile_radius(opts,
+	                                                proj->indexing_params.use_fix_profile_radius,
+	                                                proj->indexing_params.fix_profile_radius);
+	crystfel_indexing_opts_set_fixed_divergence(opts,
+	                                            proj->indexing_params.fix_divergence);
 
 	/* Stream output */
 	crystfel_indexing_opts_set_exclude_blanks(opts,
@@ -778,6 +786,12 @@ static char **indexamajig_command_line(const char *geom_filename,
 	         indexing_params->ir_mid,
 	         indexing_params->ir_out);
 	add_arg(args, n_args++, tols);
+	if ( indexing_params->use_fix_profile_radius ) {
+		add_arg_float(args, n_args++, "fix-profile-radius",
+		              indexing_params->fix_profile_radius);
+	}
+	add_arg_float(args, n_args++, "fix-divergence",
+	              indexing_params->fix_divergence);
 
 	/* Stream output */
 	if ( indexing_params->exclude_nonhits ) add_arg(args, n_args++, "--no-non-hits-in-stream");
diff --git a/src/gui_project.c b/src/gui_project.c
index 90b2b0fb..574e57dd 100644
--- a/src/gui_project.c
+++ b/src/gui_project.c
@@ -295,6 +295,15 @@ static void parse_integration_opt(const char *key, const char *val,
 	if ( strcmp(key, "integration.ir_out") == 0 ) {
 		proj->indexing_params.ir_out = parse_float(val);
 	}
+	if ( strcmp(key, "integration.fix_divergence") == 0 ) {
+		proj->indexing_params.fix_divergence = parse_float(val);
+	}
+	if ( strcmp(key, "integration.fix_profile_radius") == 0 ) {
+		proj->indexing_params.use_fix_profile_radius = parse_int(val);
+	}
+	if ( strcmp(key, "integration.fix_profile_radius_val") == 0 ) {
+		proj->indexing_params.fix_profile_radius = parse_float(val);
+	}
 }
 
 
@@ -928,6 +937,12 @@ int save_project(struct crystfelproject *proj)
 	        proj->indexing_params.ir_mid);
 	fprintf(fh, "integration.ir_out %f\n",
 	        proj->indexing_params.ir_out);
+	fprintf(fh, "integration.fix_profile_radius %i\n",
+	        proj->indexing_params.use_fix_profile_radius);
+	fprintf(fh, "integration.fix_profile_radius_val %e\n",
+	        proj->indexing_params.fix_profile_radius);
+	fprintf(fh, "integration.fix_divergence %e\n",
+	        proj->indexing_params.fix_divergence);
 
 	fprintf(fh, "stream.exclude_blanks %i\n",
 	        proj->indexing_params.exclude_nonhits);
@@ -1146,6 +1161,9 @@ void default_project(struct crystfelproject *proj)
 	proj->indexing_params.exclude_refls = 0;
 	proj->indexing_params.metadata_to_copy = NULL;
 	proj->indexing_params.n_metadata = 0;
+	proj->indexing_params.fix_profile_radius = 0.01e9;
+	proj->indexing_params.use_fix_profile_radius = 0;
+	proj->indexing_params.fix_divergence = 0.0;
 
 	proj->ambi_params.use_res = 1;
 	proj->ambi_params.res_min = 20;  /* Angstroms */
diff --git a/src/gui_project.h b/src/gui_project.h
index 1bb22d74..59a93853 100644
--- a/src/gui_project.h
+++ b/src/gui_project.h
@@ -87,6 +87,9 @@ struct index_params {
 	float ir_inn;
 	float ir_mid;
 	float ir_out;
+	float fix_profile_radius;
+	int use_fix_profile_radius;
+	float fix_divergence;
 
 	/* Stream output */
 	int exclude_nonhits;