Testing mugwatches

2 files changed, 17 insertions, 7 deletions

diff --git a/src/refine.c b/src/refine.c
index 59b6d14..cfe9f3f 100644
--- a/src/refine.c
+++ b/src/refine.c
@@ -116,8 +116,19 @@ static double refine_mean_dev(Deviation *d, int nf, Basis *devcell) {
 		double xdf, ydf, zdf;
 		
 		xdf = d[f].h*devcell->a.x + d[f].k*devcell->b.x + d[f].l*devcell->c.x - d[f].dx;
+		printf("xdf = %2i*%8.5f + %2i*%8.5f + %2i*%8.5f - %8.5f = %8.5f\n",
+			d[f].h, devcell->a.x/1e9, d[f].k, devcell->b.x/1e9, d[f].l, devcell->c.x/1e9,
+			d[f].dx/1e9, xdf/1e9);
+		
 		ydf = d[f].h*devcell->a.y + d[f].k*devcell->b.y + d[f].l*devcell->c.y - d[f].dy;
+		printf("ydf = %2i*%8.5f + %2i*%8.5f + %2i*%8.5f - %8.5f = %8.5f\n",
+			d[f].h, devcell->a.y/1e9, d[f].k, devcell->b.y/1e9, d[f].l, devcell->c.y/1e9,
+			d[f].dy/1e9, ydf/1e9);
+		
 		zdf = d[f].h*devcell->a.z + d[f].k*devcell->b.z + d[f].l*devcell->c.z - d[f].dz;
+		printf("zdf = %2i*%8.5f + %2i*%8.5f + %2i*%8.5f - %8.5f = %8.5f\n\n",
+			d[f].h, devcell->a.z/1e9, d[f].k, devcell->b.z/1e9, d[f].l, devcell->c.z/1e9,
+			d[f].dz/1e9, zdf/1e9);
 		
 		fom += sqrt(xdf*xdf + ydf*ydf + zdf*zdf);
 		
@@ -221,9 +232,9 @@ double refine_do_cell(ControlContext *ctx) {
 	
 	/* Initial situation */
 	devcell = malloc(sizeof(Basis));
-	devcell->a.x = 0.0;  devcell->b.x = 0.0;  devcell->c.x = 0.0;
-	devcell->a.y = 0.0;  devcell->b.y = 0.0;  devcell->c.y = 0.0;
-	devcell->a.z = 0.0;  devcell->b.z = 0.0;  devcell->c.z = 0.0;
+	devcell->a.x =  0.0e9;  devcell->b.x = 0.0e9;  devcell->c.x = 0.0e9;
+	devcell->a.y = -0.1e9;  devcell->b.y = 0.0e9;  devcell->c.y = 0.0e9;
+	devcell->a.z =  0.0e9;  devcell->b.z = 0.0e9;  devcell->c.z = 0.0e9;
 	mean_dev = refine_mean_dev(d, nf, devcell);
 	printf("Initial mean deviation: %13.8f nm^1\n", mean_dev/DISPFACTOR);
 	
diff --git a/src/refinetest3d.c b/src/refinetest3d.c
index 5d08e9e..399f287 100644
--- a/src/refinetest3d.c
+++ b/src/refinetest3d.c
@@ -158,10 +158,9 @@ int main(int argc, char *argv[]) {
 	
 	/* The "model" cell to be refined */
 	ctx->cell = malloc(sizeof(Basis));
-	ctx->cell->a.x = 5.0e9;  ctx->cell->a.y = 0.1e9;  ctx->cell->a.z = 0.1e9;
-	ctx->cell->b.x = 0.1e9;  ctx->cell->b.y = 5.0e9;  ctx->cell->b.z = 0.1e9;
-	ctx->cell->c.x = 0.1e9;  ctx->cell->c.y = 0.1e9;  ctx->cell->c.z = 5.0e9;
-	ctx->cell->a.x += random_plusminus(0.1e9);
+	ctx->cell->a.x = 5.0e9;  ctx->cell->a.y = 0.1e9;  ctx->cell->a.z = 0.0e9;
+	ctx->cell->b.x = 0.0e9;  ctx->cell->b.y = 5.0e9;  ctx->cell->b.z = 0.0e9;
+	ctx->cell->c.x = 0.0e9;  ctx->cell->c.y = 0.0e9;  ctx->cell->c.z = 5.0e9;
 	ctx->cell_lattice = reflection_list_from_cell(ctx->cell);
 	ctx->images->images[0].rflist = reproject_get_reflections(&ctx->images->images[0], ctx->cell_lattice);
 	reproject_partner_features(ctx->images->images[0].rflist, &ctx->images->images[0]);