From a1ee07e0887bd23491218301ad440a4ad2efb24f Mon Sep 17 00:00:00 2001
From: Thomas White <taw@bitwiz.org.uk>
Date: Wed, 6 Feb 2013 20:07:56 +0100
Subject: Stuff

---
 src/partial_sim.c     | 5 +----
 src/post-refinement.c | 6 +++---
 src/post-refinement.h | 2 +-
 3 files changed, 5 insertions(+), 8 deletions(-)

(limited to 'src')

diff --git a/src/partial_sim.c b/src/partial_sim.c
index 4e96fbbc..502e7028 100644
--- a/src/partial_sim.c
+++ b/src/partial_sim.c
@@ -252,7 +252,6 @@ static void run_job(void *vwargs, int cookie)
 	struct queue_args *qargs = wargs->qargs;
 	int i;
 	Crystal *cr;
-	UnitCell *cell;
 	RefList *reflections;
 
 	cr = crystal_new();
@@ -268,9 +267,7 @@ static void run_job(void *vwargs, int cookie)
 
 	/* Set up a random orientation */
 	orientation = random_quaternion();
-	cell = cell_rotate(qargs->cell, orientation);
-	crystal_set_cell(cr, cell);
-	cell_free(cell);
+	crystal_set_cell(cr, cell_rotate(qargs->cell, orientation));
 
 	snprintf(wargs->image.filename, 255, "dummy.h5");
 	reflections = find_intersections(&wargs->image, cr);
diff --git a/src/post-refinement.c b/src/post-refinement.c
index 31558ec7..1439b148 100644
--- a/src/post-refinement.c
+++ b/src/post-refinement.c
@@ -88,7 +88,7 @@ static double partiality_rgradient(double r, double profile_radius)
 
 
 /* Return the gradient of parameter 'k' given the current status of 'image'. */
-double gradient(Crystal *cr, int k, Reflection *refl, double r)
+double gradient(Crystal *cr, int k, Reflection *refl)
 {
 	double ds, azix, aziy;
 	double ttlow, tthigh, tt;
@@ -104,6 +104,7 @@ double gradient(Crystal *cr, int k, Reflection *refl, double r)
 	double klow, khigh;
 	double gr;
 	struct image *image = crystal_get_image(cr);
+	double r = crystal_get_profile_radius(cr);
 
 	get_symmetric_indices(refl, &hs, &ks, &ls);
 
@@ -419,8 +420,7 @@ static double pr_iterate(Crystal *cr, const RefList *full)
 		/* Calculate all gradients for this reflection */
 		for ( k=0; k<NUM_PARAMS; k++ ) {
 			double gr;
-			gr = gradient(cr, k, refl,
-			              crystal_get_profile_radius(cr));
+			gr = gradient(cr, k, refl);
 			gradients[k] = gr;
 		}
 
diff --git a/src/post-refinement.h b/src/post-refinement.h
index 52e70b2b..fe171882 100644
--- a/src/post-refinement.h
+++ b/src/post-refinement.h
@@ -62,7 +62,7 @@ enum {
 extern void pr_refine(Crystal *cr, const RefList *full);
 
 /* Exported so it can be poked by tests/pr_gradient_check */
-extern double gradient(Crystal *cr, int k, Reflection *refl, double r);
+extern double gradient(Crystal *cr, int k, Reflection *refl);
 
 
 #endif	/* POST_REFINEMENT_H */
-- 
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