Use a struct to contain information for scaling report

3 files changed, 27 insertions, 14 deletions

diff --git a/src/partialator.c b/src/partialator.c
index a282744e..6b29a74f 100644
--- a/src/partialator.c
+++ b/src/partialator.c
@@ -333,6 +333,7 @@ int main(int argc, char *argv[])
 	PartialityModel pmodel = PMODEL_SPHERE;
 	int min_measurements = 2;
 	char *rval;
+	struct srdata srdata;
 
 	/* Long options */
 	const struct option longopts[] = {
@@ -611,9 +612,13 @@ int main(int argc, char *argv[])
 	full = scale_intensities(crystals, n_crystals, reference,
 	                         nthreads, noscale, pmodel, min_measurements);
 
+	srdata.crystals = crystals;
+	srdata.n = n_crystals;
+	srdata.full = full;
+
 	sr = sr_titlepage(crystals, n_crystals, "scaling-report.pdf",
 	                  infile, cmdline);
-	sr_iteration(sr, 0, crystals, n_crystals, full);
+	sr_iteration(sr, 0, &srdata);
 
 	/* Iterate */
 	for ( i=0; i<n_iter; i++ ) {
@@ -646,7 +651,9 @@ int main(int argc, char *argv[])
 		                         reference, nthreads, noscale, pmodel,
 		                         min_measurements);
 
-		sr_iteration(sr, i+1, crystals, n_crystals, full);
+		srdata.full = full;
+
+		sr_iteration(sr, i+1, &srdata);
 
 	}
 
diff --git a/src/scaling-report.c b/src/scaling-report.c
index 8e70af50..acb007ae 100644
--- a/src/scaling-report.c
+++ b/src/scaling-report.c
@@ -817,8 +817,7 @@ SRContext *sr_titlepage(Crystal **crystals, int n,
 }
 
 
-void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
-                  RefList *full)
+void sr_iteration(SRContext *sr, int iteration, struct srdata *d)
 {
 	int i;
 	char page_title[1024];
@@ -834,7 +833,7 @@ void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
 
 	cairo_save(sr->cr);
 	cairo_translate(sr->cr, 480.0, 350.0);
-	scale_factor_histogram(sr->cr, crystals, n,
+	scale_factor_histogram(sr->cr, d->crystals, d->n,
 	                       "Distribution of overall scale factors");
 	cairo_restore(sr->cr);
 
@@ -842,7 +841,7 @@ void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
 	cairo_save(sr->cr);
 
 	cairo_translate(sr->cr, 70.0, 330.0);
-	partiality_graph(sr->cr, crystals, n, full);
+	partiality_graph(sr->cr, d->crystals, d->n, d->full);
 
 	cairo_save(sr->cr);
 	cairo_move_to(sr->cr, 0.0, 0.0);
@@ -853,7 +852,7 @@ void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
 	cairo_stroke(sr->cr);
 	cairo_set_dash(sr->cr, NULL, 0, 0.0);
 	cairo_translate(sr->cr, 0.0, -150.0);
-	partiality_histogram(sr->cr, crystals, n, full, 1, 0);
+	partiality_histogram(sr->cr, d->crystals, d->n, d->full, 1, 0);
 	cairo_restore(sr->cr);
 
 	cairo_save(sr->cr);
@@ -866,13 +865,13 @@ void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
 	cairo_set_dash(sr->cr, NULL, 0, 0.0);
 	cairo_translate(sr->cr, 230.0, 200.0);
 	cairo_rotate(sr->cr, -M_PI_2);
-	partiality_histogram(sr->cr, crystals, n, full, 0, 1);
+	partiality_histogram(sr->cr, d->crystals, d->n, d->full, 0, 1);
 	cairo_restore(sr->cr);
 
 	cairo_restore(sr->cr);
 
 	if ( iteration == 0 ) {
-		find_most_sampled_reflections(full, 9,
+		find_most_sampled_reflections(d->full, 9,
 		                              sr->ms_h, sr->ms_k, sr->ms_l);
 	}
 
@@ -885,7 +884,7 @@ void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
 
 		cairo_save(sr->cr);
 		cairo_translate(sr->cr, 400.0+140.0*x, 60.0+80.0*y);
-		intensity_histogram(sr->cr, crystals, n, full,
+		intensity_histogram(sr->cr, d->crystals, d->n, d->full,
 		                    sr->ms_h[i], sr->ms_k[i], sr->ms_l[i]);
 		cairo_restore(sr->cr);
 
diff --git a/src/scaling-report.h b/src/scaling-report.h
index 5b153377..473e1759 100644
--- a/src/scaling-report.h
+++ b/src/scaling-report.h
@@ -38,6 +38,15 @@
 
 typedef struct _srcontext SRContext;  /* Opaque */
 
+/* Information is logged in this structure */
+struct srdata
+{
+	int n_no_refine;  /* Number that couldn't be refined */
+	Crystal **crystals;
+	int n;
+	RefList *full;
+};
+
 #ifdef HAVE_CAIRO
 
 extern SRContext *sr_titlepage(Crystal **crystals, int n,
@@ -45,8 +54,7 @@ extern SRContext *sr_titlepage(Crystal **crystals, int n,
                                const char *stream_filename,
                                const char *cmdline);
 
-extern void sr_iteration(SRContext *sr, int iteration,
-                         Crystal **crystals, int n, RefList *full);
+extern void sr_iteration(SRContext *sr, int iteration, struct srdata *d);
 
 extern void sr_finish(SRContext *sr);
 
@@ -58,8 +66,7 @@ SRContext *sr_titlepage(Crystal **crystals, int n, const char *filename,
 	return NULL;
 }
 
-void sr_iteration(SRContext *sr, int iteration, Crystal **crystals, int n,
-                  RefList *full)
+void sr_iteration(SRContext *sr, int iteration, struct srdata *d)
 {
 }