UI and reprojection stuff

git-svn-id: svn://cook.msm.cam.ac.uk:745/diff-tomo/dtr@144 bf6ca9ba-c028-0410-8290-897cf20841d1

1 files changed, 46 insertions, 0 deletions

diff --git a/src/reflections.c b/src/reflections.c
index dc3ce2f..0005332 100644
--- a/src/reflections.c
+++ b/src/reflections.c
@@ -351,3 +351,49 @@ ReflectionList *reflectionlist_sort_lfom(ReflectionList *in) {
 
 }
 
+/* Generate a list of reflections from a unit cell */
+ReflectionList *reflection_list_from_cell(Basis *basis) {
+
+	ReflectionList *ordered;
+	double max_res;
+	signed int h, k, l;
+	int max_order_a, max_order_b, max_order_c;
+	
+	
+	max_res = 20e9;
+	
+	ordered = reflectionlist_new();
+	
+	max_order_a = max_res/modulus(basis->a.x, basis->a.y, basis->a.z);
+	max_order_b = max_res/modulus(basis->b.x, basis->b.y, basis->b.z);
+	max_order_c = max_res/modulus(basis->c.x, basis->c.y, basis->c.z);
+	for ( h=-max_order_a; h<=max_order_a; h++ ) {
+		for ( k=-max_order_b; k<=max_order_b; k++ ) {
+			for ( l=-max_order_c; l<=max_order_c; l++ ) {
+
+				double x, y, z;
+				
+				x = h*basis->a.x + k*basis->b.x + l*basis->c.x;
+				y = h*basis->a.y + k*basis->b.y + l*basis->c.y;
+				z = h*basis->a.z + k*basis->b.z + l*basis->c.z;
+				
+				if ( ( x*x + y*y + z*z ) <= max_res*max_res ) {
+					Reflection *ref;
+					ref = reflection_add(ordered, x, y, z, 1, REFLECTION_GENERATED);
+					if ( ref ) {	/* Check it's not NULL */
+						ref->h = h;	ref->k = k;	ref->l = l;
+					}
+					if ( (h!=0) || (k!=0) || (l!=0) ) {
+					//	reflection_add(ctx->reflectionlist, x, y, z, 1, REFLECTION_GENERATED);
+						reflection_add(ordered, x, y, z, 1, REFLECTION_GENERATED);
+					}
+				}
+				
+			}
+		}
+	}
+	
+	return ordered;
+
+}
+