Limit the resolution of reflections passed to DirAx

1 files changed, 17 insertions, 11 deletions

diff --git a/src/dirax.c b/src/dirax.c
index 7c79412..2c82833 100644
--- a/src/dirax.c
+++ b/src/dirax.c
@@ -377,23 +377,20 @@ static void dirax_send_random_selection(ReflectionList *r, int n, FILE *fh)
 		used[i] = '-';
 	}
 
-	for ( i=0; i<1000; i++ ) {
+	i = 0;
+	while ( i < 1000 ) {
 
 		Reflection *ref;
-		int done;
 		int j;
 		long long int ra;
 
-		done = 0;
-		while ( !done ) {
-			ra = ((long long int)random() * (long long int)n);
-			ra /= RAND_MAX;
-			if ( used[ra] == 'U' ) {
-				printf("%lli - already used\n", ra);
-			} else {
-				done = 1;
-			}
+		ra = ((long long int)random() * (long long int)n);
+		ra /= RAND_MAX;
+		if ( used[ra] == 'U' ) {
+			printf("%lli - already used\n", ra);
+			continue;
 		}
+
 		printf("Selected reflection %lli\n", ra);
 
 		/* Dig out the correct reflection. A little faffy
@@ -402,11 +399,20 @@ static void dirax_send_random_selection(ReflectionList *r, int n, FILE *fh)
 		for ( j=0; j<ra; j++ ) {
 			ref = ref->next;
 		}
+
+		/* Limit resolution of reflections */
+		if (	( (ref->x/1e9)*(ref->x/1e9)
+			+ (ref->y/1e9)*(ref->y/1e9)
+			+ (ref->z/1e9)*(ref->z/1e9) ) > (20e9)*(20e9) )
+				continue;
+
 		fprintf(fh, "%10f %10f %10f %8f\n",
 					ref->x/1e10, ref->y/1e10,
 					ref->z/1e10, ref->intensity);
 		used[ra] = 'U';
 
+		i++;
+
 	}
 }