r27309 - /trunk/test_suite/shared_data/diffusion_tensor/generate_data.py -- January 26, 2015 - 15:22

Author: bugman
Date: Mon Jan 26 15:22:12 2015
New Revision: 27309

URL: http://svn.gna.org/viewcvs/relax?rev=27309&view=rev
Log:
Modified the generate_data.py diffusion tensor to relaxation data creation 
script.

The NH vectors are no longer truncated to match the PDB.


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

Modified: trunk/test_suite/shared_data/diffusion_tensor/generate_data.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=27309&r1=27308&r2=27309&view=diff
==============================================================================
--- trunk/test_suite/shared_data/diffusion_tensor/generate_data.py      
(original)
+++ trunk/test_suite/shared_data/diffusion_tensor/generate_data.py      Mon 
Jan 26 15:22:12 2015
@@ -253,13 +253,9 @@
             # The atomic positions.
             pos1 = vectors[index] * 10
             pos2 = pos1 + vectors[index] * r
-            vector = pos2 - pos1
-
-            # Store the rearranged vector (truncated as in the PDB).
-            trunc_vect = zeros(3, float64)
-            for k in range(3):
-                trunc_vect[k] = float("%.3f" % vector[k])
-            new_vectors.append(trunc_vect)
+
+            # Store the vector.
+            new_vectors.append(vectors[index] * r)
 
             # Residue number.
             res = (atom_num + 1) / 2