- Added missing files

singlediff.c

@@ -0,0 +1,25 @@
+/**
+ * This is the implemetation of some common support functions for single 
+ * crystal diffraction.
+ * 
+ * copyright: see file COPYRIGHT
+ * 
+ * Mark Koenencke, August 2008
+*/
+#include <stdio.h>
+#include "singlediff.h"
+/*-----------------------------------------------------------------------*/
+MATRIX calculateScatteringVector(pSingleDiff pSingle, double fHKL[3])
+{
+  MATRIX z1, hkl;
+  int i;
+
+  hkl = mat_creat(3, 1, ZERO_MATRIX);
+  for (i = 0; i < 3; i++) {
+    hkl[i][0] = fHKL[i];
+  }
+  z1 = mat_mul(pSingle->UB, hkl);
+  mat_free(hkl);
+
+  return z1;
+}