- Fixed NB indexing

- Fixed an issue with setbin generated time binnings

ubfour.h

@@ -33,7 +33,8 @@
  */
 typedef struct {
   double h, k, l;
-  double s2t, om, chi, phi;
+  double s2t, om, chi, phi; /* bisecting */
+  double gamma, omnb, nu; /* normal beam */
 } reflection;
 /**
  * calculate a UB matrix from cell constants and two reflections
@@ -45,6 +46,17 @@ typedef struct {
  */
 MATRIX calcUBFromCellAndReflections(lattice direct, reflection r1,
                                     reflection r2, int *errCode);
+/**
+ * calculate a UB matrix for normal beam geometry from cell constants and 
+ * two reflections
+ * @param direct The direct cell constants
+ * @param r1 The first reflection.
+ * @param r2 The second reflection.
+ * @param errCode an error indicator if things go wrong.
+ * @return The resulting UB matrix or NULL on errors
+ */
+MATRIX calcNBUBFromCellAndReflections(lattice direct, reflection r1,
+                                    reflection r2, int *errCode);
 /**
  * calculate the UB matrix from three reflections. The three reflections must not be 
  * coplanar and must reflect a right handed 
@@ -58,6 +70,19 @@ MATRIX calcUBFromCellAndReflections(lattice direct, reflection r1,
 MATRIX calcUBFromThreeReflections(reflection r1, reflection r2,
                                   reflection r3, double lambda,
                                   int *errCode);
+/**
+ * calculate the UB matrix from three reflections for normal beam geomtry.
+ *  The three reflections must not be coplanar and must reflect a right handed set.
+ * @param r1 The first reflection
+ * @param r2 The second reflection
+ * @param r3 The third reflection.
+ * @param errCode a code indictang errors which happened.
+ * @return A UB matrix on success or NULL on errors. Then errcode will indicate
+ * the type of teh error.
+ */
+MATRIX calcNBUBFromThreeReflections(reflection r1, reflection r2,
+                                  reflection r3, double lambda,
+                                  int *errCode);
 /**
  * a data structure holding an indexing suggestion
  */
@@ -92,7 +117,7 @@ double angleBetweenReflections(MATRIX B, reflection r1, reflection r2);
 /**
  * calculate the length of the scattering vector belonging to r
  * @param B The B metric matrix to use
- * @param r The reflction for wihic to calculate
+ * @param r The reflction for which to calculate
  * @return The length of the scattering vector
  */
 double scatteringVectorLength(MATRIX B, reflection r);