From bd233188cce2c0f8203dd2a4c60eecd9abcb9bbf Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Fri, 5 Feb 2010 17:45:10 +0100
Subject: Add (slow) bandwidth and multisampling

---
 src/diffraction.c | 27 ++++++++++++++++-----------
 1 file changed, 16 insertions(+), 11 deletions(-)

(limited to 'src/diffraction.c')

diff --git a/src/diffraction.c b/src/diffraction.c
index 27037839..b9430ba7 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -174,20 +174,25 @@ void get_diffraction(struct image *image, int na, int nb, int nc, int no_sfac)
 		double complex f_molecule;
 		struct rvec q;
 		double complex val;
+		int i;
 
-		q = image->qvecs[x + image->width*y];
+		for ( i=0; i<image->nspheres; i++ ) {
 
-		f_lattice = lattice_factor(q, ax,ay,az,bx,by,bz,cx,cy,cz,
-		                           na, nb, nc);
-		if ( no_sfac ) {
-			f_molecule = 1.0;
-		} else {
-			f_molecule = molecule_factor(image->molecule, q,
-		                             ax,ay,az,bx,by,bz,cx,cy,cz);
-		}
+			q = image->qvecs[i][x + image->width*y];
+
+			f_lattice = lattice_factor(q, ax,ay,az,bx,by,bz,cx,cy,cz,
+			                           na, nb, nc);
+			if ( no_sfac ) {
+				f_molecule = 10000.0;
+			} else {
+				f_molecule = molecule_factor(image->molecule, q,
+			                            ax,ay,az,bx,by,bz,cx,cy,cz);
+			}
 
-		val = f_molecule * f_lattice;
-		image->sfacs[x + image->width*y] = val;
+			val = f_molecule * f_lattice;
+			image->sfacs[x + image->width*y] = val;
+
+		}
 
 	}
 	progress_bar(x, image->width-1, "Calculating lattice factors");
-- 
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