More instrumentation stuff

1 files changed, 14 insertions, 9 deletions

diff --git a/src/refine.c b/src/refine.c
index 20da997..9333674 100644
--- a/src/refine.c
+++ b/src/refine.c
@@ -37,12 +37,14 @@
 
 /* Refine debug */
 #define REFINE_DEBUG 1
+#define REFINE_DEBUG_MORE 0
 
 typedef struct {
-	signed int h;	signed int k;	signed int l;
-	double dx;	double dy;
-	double xx;	double xy;	double xz;
-	double yx;	double yy;	double yz;
+	signed int h;	signed int k;	signed int l;	/* Indicies of reflection */
+	double dx;	double dy;			/* Deviation vector for this reflection in nm^-1 */
+	double xx;	double xy;	double xz;	/* x,y,z components of "image x" */
+	double yx;	double yy;	double yz;	/* x,y,z components of "image y" */
+	int image;					/* Image number this dev came from, for debugging purposes */
 } Deviation;
 
 void refine_do_sequence(ControlContext *ctx) {
@@ -126,12 +128,12 @@ static double refine_mean_dev(Deviation *d, int nf, Basis *devcell) {
 		/* Project into original image */
 		dx = xdf*d[f].xx + ydf*d[f].xy + zdf*d[f].xz;
 		dy = xdf*d[f].yx + ydf*d[f].yy + zdf*d[f].yz;
-		//if ( REFINE_DEBUG ) printf("%2i %2i %2i dx=%8.5f dy=%8.5f => ",
-		//				d[f].h, d[f].k, d[f].l, dx/DISPFACTOR, dy/DISPFACTOR);
 		
 		dx -= d[f].dx;
 		dy -= d[f].dy;
-		//if ( REFINE_DEBUG ) printf("%8.5f %8.5f\n", dx/DISPFACTOR, dy/DISPFACTOR);
+		
+		if ( REFINE_DEBUG_MORE ) printf("Image %2i ref %3i %3i %3i dev %8.5f %8.5f\n", d[f].image,
+						d[f].h, d[f].k, d[f].l, dx/DISPFACTOR, dy/DISPFACTOR);
 		
 		fom += sqrt(dx*dx + dy*dy);
 		
@@ -227,6 +229,8 @@ double refine_do_cell(ControlContext *ctx) {
 			mapping_rotate(1.0, 0.0, 0.0, &d[f].xx, &d[f].xy, &d[f].xz, image->omega, image->tilt);
 			mapping_rotate(0.0, 1.0, 0.0, &d[f].yx, &d[f].yy, &d[f].yz, image->omega, image->tilt);
 			
+			d[f].image = i;
+			
 			f++;
 		
 		}
@@ -247,7 +251,8 @@ double refine_do_cell(ControlContext *ctx) {
 	devcell_try_best = malloc(sizeof(Basis));
 	for ( it=1; it<=10000; it++ ) {
 		int found = 0;
-		if ( REFINE_DEBUG ) printf("Iteration %i starts at dev %14.12f\n", it, mean_dev/DISPFACTOR);
+		if ( REFINE_DEBUG_MORE ) printf("Iteration %i starts at dev %14.12f\n",
+								it, mean_dev/DISPFACTOR);
 		for ( comp=0; comp<18; comp++ ) {
 			memcpy(devcell_try, devcell, sizeof(Basis));
 			switch ( comp ) {
@@ -271,7 +276,7 @@ double refine_do_cell(ControlContext *ctx) {
 				case 17 : devcell_try->c.z -= 0.0001e9; break;
 			}
 			mean_dev_try = refine_mean_dev(d, nf, devcell_try);
-			if ( REFINE_DEBUG ) printf("Direction %2i, new dev=%14.12f (%+14.12f)\n",
+			if ( REFINE_DEBUG_MORE ) printf("Direction %2i, new dev=%14.12f (%+14.12f)\n",
 					comp, mean_dev_try/DISPFACTOR, (mean_dev_try-mean_dev)/DISPFACTOR);
 			if ( mean_dev_try < mean_dev ) {
 				mean_dev = mean_dev_try;