Fix obvious problems

2 files changed, 11 insertions, 10 deletions

diff --git a/src/diffraction.c b/src/diffraction.c
index b9430ba7..b3d6bef0 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -157,8 +157,8 @@ void get_diffraction(struct image *image, int na, int nb, int nc, int no_sfac)
 	STATUS("Particle size = %i x %i x %i (=%5.2f x %5.2f x %5.2f nm)\n",
 	       na, nb, nc, na*a/1.0e-9, nb*b/1.0e-9, nc*c/1.0e-9);
 
-	image->sfacs = malloc(image->width * image->height
-		                      * sizeof(double complex));
+	image->sfacs = calloc(image->width * image->height,
+	                      sizeof(double complex));
 
 	if ( !no_sfac ) {
 		if ( image->molecule->reflections == NULL ) {
@@ -190,7 +190,7 @@ void get_diffraction(struct image *image, int na, int nb, int nc, int no_sfac)
 			}
 
 			val = f_molecule * f_lattice;
-			image->sfacs[x + image->width*y] = val;
+			image->sfacs[x + image->width*y] += val;
 
 		}
 
diff --git a/src/ewald.c b/src/ewald.c
index f24e9273..a72f9dc6 100644
--- a/src/ewald.c
+++ b/src/ewald.c
@@ -57,7 +57,7 @@ static struct rvec quat_rot(struct rvec q, struct quaternion z)
 }
 
 
-static void add_sphere(struct image *image, double k)
+static void add_sphere(struct image *image, double k, int soffs)
 {
 	int x, y;
 
@@ -139,7 +139,7 @@ static void add_sphere(struct image *image, double k)
 
 		/* Now interpolate between the values to get
 		 * the sampling points */
-		i = 0;
+		i = soffs;
 		for ( sx=0; sx<SAMPLING; sx++ ) {
 		for ( sy=0; sy<SAMPLING; sy++ ) {
 
@@ -184,29 +184,30 @@ void get_ewald(struct image *image)
 {
 	double kc;  /* Wavenumber */
 	int i, kstep;
+	int mtotal = 0;
 
 	kc = 1/image->lambda;  /* Centre */
 
-	image->qvecs = malloc(image->width * image->height
-	                       * sizeof(struct rvec *));
-
 	image->twotheta = malloc(image->width * image->height
 	                       * sizeof(double));
 
 	/* Create the spheres */
 	image->nspheres = SAMPLING*SAMPLING*BWSAMPLING;
+	image->qvecs = malloc(image->nspheres * sizeof(struct rvec *));
+
 	for ( i=0; i<image->nspheres; i++ ) {
+		mtotal += image->width * image->height * sizeof(struct rvec);
 		image->qvecs[i] = malloc(image->width * image->height
                                                  * sizeof(struct rvec));
 	}
+	STATUS("%i spheres, %i Mbytes\n", image->nspheres, mtotal/(1024*1024));
 
 	for ( kstep=0; kstep<BWSAMPLING; kstep++ ) {
 
 		double k;
 
 		k = kc + (kstep-(BWSAMPLING/2))*kc*(BANDWIDTH/BWSAMPLING);
-
-		add_sphere(image, k);
+		add_sphere(image, k, kstep*SAMPLING);
 
 	}
 }