r11047 - /1.3/test_suite/shared_data/diffusion_tensor/generate_data.py -- March 19, 2010 - 17:23

Author: bugman
Date: Fri Mar 19 17:23:31 2010
New Revision: 11047

URL: http://svn.gna.org/viewcvs/relax?rev=11047&view=rev
Log:
The unit bond vector is now normalised - just in case - in the ri_data() 
function.


Modified:
    1.3/test_suite/shared_data/diffusion_tensor/generate_data.py

Modified: 1.3/test_suite/shared_data/diffusion_tensor/generate_data.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=11047&r1=11046&r2=11047&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/diffusion_tensor/generate_data.py (original)
+++ 1.3/test_suite/shared_data/diffusion_tensor/generate_data.py Fri Mar 19 
17:23:31 2010
@@ -93,11 +93,15 @@
     # Loop over the vectors.
     c = zeros(5, float64)
     for i in range(len(vectors)):
+        # Normalise.
+        vector = vectors[i] / norm(vectors[i])
+
+        # Print out.
         print("\ni: %s" % i)
-        print("vector: %s" % vectors[i])
+        print("vector: %s" % vector)
 
         # Direction cosines.
-        delta_x, delta_y, delta_z = vectors[i]
+        delta_x, delta_y, delta_z = vector
 
         # The d and e factors.
         d = 3.0 * (delta_x**4 + delta_y**4 + delta_z**4) - 1.0