Display 'k' in 2D

git-svn-id: svn://cook.msm.cam.ac.uk:745/diff-tomo/dtr@112 bf6ca9ba-c028-0410-8290-897cf20841d1

1 files changed, 19 insertions, 27 deletions

diff --git a/src/reproject.c b/src/reproject.c
index efd32c9..ffd49b9 100644
--- a/src/reproject.c
+++ b/src/reproject.c
@@ -25,7 +25,10 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 	int i;
 	double smax = 0.5e9;
 	double tilt, omega;
-	
+	double xt, yt, zt;
+	double nx, ny, nz;
+	double kx, ky, kz;
+			
 	tilt = deg2rad(image.tilt);
 	omega = deg2rad(image.omega);
 	
@@ -34,11 +37,21 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 	i = 0;
 	
 	reflection = rctx->reflections;
+	
+	/* Calculate the (normalised) incident electron wavevector */
+	xt = 0;  yt = sin(tilt);  zt = cos(tilt);
+	nx = xt*cos(omega) + yt*-sin(omega);
+	ny = xt*sin(omega) + yt*cos(omega);
+	nz = zt;
+	kx = nx / image.lambda;
+	ky = ny / image.lambda;
+	kz = nz / image.lambda;	/* This is the centre of the Ewald sphere */
+	
+	reflection_add(ctx->reflectionctx, kx, ky, kz, 1, REFLECTION_VECTOR_MARKER_1);
+	
 	do {
 	
 		double xl, yl, zl;
-		double nx, ny, nz;
-		double xt, yt, zt;
 		double a, b, c;
 		double A1, A2, s1, s2, s;
 		
@@ -47,14 +60,6 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 		yl = reflection->y;
 		zl = reflection->z;
 		
-		/* Now calculate the (normalised) incident electron wavevector */
-		xt = 0;
-		yt = sin(tilt);
-		zt = cos(tilt);
-		nx = xt*cos(omega) + yt*-sin(omega);
-		ny = xt*sin(omega) + yt*cos(omega);
-		nz = zt;
-		
 		/* Next, solve the relrod equation to calculate the excitation error */
 		a = 1.0;
 		b = -2.0*(xl*nx + yl*ny + zl*nz);
@@ -71,7 +76,6 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 		
 			double xi, yi, zi;
 			double gx, gy, gz;
-			double kx, ky, kz;
 			double cx, cy, cz;
 			double ux, uy, uz;
 			double uyt, uzt;
@@ -83,9 +87,6 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 			xi = xl + s*nx;  yi = yl + s*ny;  zi = zl + s*nz;
 			
 			/* Calculate Bragg angle */
-			kx = nx / image.lambda;
-			ky = ny / image.lambda;
-			kz = nz / image.lambda;	/* This is the centre of the Ewald sphere */
 			gx = xi - kx;
 			gy = yi - ky;
 			gz = zi - kz;	/* This is the vector from the centre of the sphere to the intersection */
@@ -95,6 +96,9 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 			
 				double psi, disc;
 			
+				reflection_add(ctx->reflectionctx, xl, yl, zl, 1, REFLECTION_GENERATED);
+				reflection_add(ctx->reflectionctx, xi, yi, zi, 1, REFLECTION_MARKER);
+				
 				/* Determine where "up" is */
 				uyt = cos(tilt);	uzt = -sin(tilt);  /* tilt it (uxt not needed) */
 				ux = uyt*-sin(omega);	uy = uyt*cos(omega);	uz = uzt;  /* rotate it */
@@ -111,18 +115,6 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
 				else if ( (psi < M_PI_2) && (disc < M_PI_2) ) psi = 3*M_PI_2 - psi;	/* Case 3 */
 				else if ( (psi < M_PI_2) && (disc >= M_PI_2) ) psi = 3*M_PI_2 + psi;	/* Case 4 */
 				psi = M_PI_2 - psi;	/* Anticlockwise from "+x" instead of clockwise from "up" */
-				if ( (reflection->h == 2) && (reflection->k == 2) && (reflection->l == 0) ) {
-					printf("c = %f, %f, %f\n", cx, cy, cz);
-					reflection_add(ctx->reflectionctx, cx, cy, cz, 1, REFLECTION_VECTOR_MARKER_2);
-					printf("r = %f, %f, %f\n", rx, ry, rz);
-					reflection_add(ctx->reflectionctx, rx, ry, rz, 1, REFLECTION_VECTOR_MARKER_3);
-					reflection->type = REFLECTION_MARKER;
-					printf("n = %f, %f, %f\n", kx, ky, kz);
-					reflection_add(ctx->reflectionctx, kx, ky, kz, 1, REFLECTION_VECTOR_MARKER_1);
-					} else {
-					reflection_add(ctx->reflectionctx, xl, yl, zl, 1, REFLECTION_GENERATED);
-					reflection_add(ctx->reflectionctx, xi, yi, zi, 1, REFLECTION_MARKER);
-				}
 				
 				/* Calculate image coordinates from polar representation */
 				if ( image.fmode == FORMULATION_CLEN ) {