Record the strongest of duplicated measurements

git-svn-id: svn://cook.msm.cam.ac.uk:745/diff-tomo/dtr@241 bf6ca9ba-c028-0410-8290-897cf20841d1

3 files changed, 48 insertions, 7 deletions

diff --git a/src/intensities.c b/src/intensities.c
index af04c8e..2d56b30 100644
--- a/src/intensities.c
+++ b/src/intensities.c
@@ -64,26 +64,51 @@ void intensities_extract(ControlContext *ctx) {
 				if ( (h!=0) || (k!=0) || (l!=0) ) {
 				
 					double intensity;
-					Reflection *new;
+					Reflection *ref;
 					
 					/* Perform relrod calculation of doom here.
 					 * TODO: Figure out if this is even possible. */
 					intensity = feature->partner->intensity;
 					
-					new = reflection_add(ctx->integrated,
+					ref = reflectionlist_find(ctx->integrated, h, k, l);
+					
+					if ( ref == NULL ) {
+					
+						Reflection *new;
+						
+						printf("IN: Adding %3i %3i %3i, intensity=%f\n", h, k, l, intensity);
+								
+						new = reflection_add(ctx->integrated,
 							feature->reflection->x, feature->reflection->y, feature->reflection->z,
 							intensity, REFLECTION_GENERATED);
-					
-					if ( new != NULL ) {
+						
 						new->h = h;
 						new->k = k;
 						new->l = l;
-						//printf("IN: Adding %3i %3i %3i, intensity=%f\n", h, k, l, intensity);
+						
 						if ( intensity > max ) max = intensity;
+						
 						n_meas++;
+					
 					} else {
-						printf("IN: Duplicate measurement for %3i %3i %3i\n", h, k, l);
+						
+						printf("IN: Duplicate measurement for %3i %3i %3i - ", h, k, l);
+						
+						if ( intensity > ref->intensity ) {
+						
+							printf("stronger.\n");
+						
+							ref->x = feature->reflection->x;
+							ref->y = feature->reflection->y;
+							ref->z = feature->reflection->z;
+							ref->intensity = intensity;
+							
+						} else {
+							printf("weaker.\n");
+						}
+						
 						n_dupl++;
+						
 					}
 				
 				}
diff --git a/src/reflections.c b/src/reflections.c
index 8d6b2e5..0f25e2a 100644
--- a/src/reflections.c
+++ b/src/reflections.c
@@ -212,7 +212,6 @@ Reflection *reflectionlist_find_nearest_type(ReflectionList *reflectionlist, dou
 	
 	return best;
 
-
 }
 
 /* Generate a list of reflections from a unit cell */
@@ -293,3 +292,19 @@ int reflection_is_easy(Reflection *reflection) {
 
 }
 
+Reflection *reflectionlist_find(ReflectionList *reflectionlist, signed int h, signed int k, signed int l) {
+
+	Reflection *reflection;
+	
+	reflection = reflectionlist->reflections;
+	while ( reflection ) {
+		if ( (reflection->h==h) && (reflection->k==k) && (reflection->l==l) ) {
+			return reflection;
+		}
+		reflection = reflection->next;
+	};
+	
+	return NULL;
+
+}
+
diff --git a/src/reflections.h b/src/reflections.h
index 1ca7d5a..8a0afef 100644
--- a/src/reflections.h
+++ b/src/reflections.h
@@ -68,6 +68,7 @@ extern double reflectionlist_largest_g(ReflectionList *reflectionlist);
 extern Reflection *reflectionlist_find_nearest(ReflectionList *reflectionlist, double x, double y, double z);
 extern Reflection *reflectionlist_find_nearest_longer_unknown(ReflectionList *reflectionlist, double x, double y, double z, double min_distance);
 extern Reflection *reflectionlist_find_nearest_type(ReflectionList *reflectionlist, double x, double y, double z, ReflectionType type);
+extern Reflection *reflectionlist_find(ReflectionList *reflectionlist, signed int h, signed int k, signed int l);
 
 #include "basis.h"
 extern ReflectionList *reflection_list_from_cell(Basis *basis);