r10065 - /1.3/data/align_tensor.py -- December 07, 2009 - 10:57

Author: bugman
Date: Mon Dec  7 10:57:35 2009
New Revision: 10065

URL: http://svn.gna.org/viewcvs/relax?rev=10065&view=rev
Log:
Bug fix for the calc_rotation() function.

The axis permutation for | Azz | >= | Ayy | >= | Axx | is now correctly 
performed.


Modified:
    1.3/data/align_tensor.py

Modified: 1.3/data/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/align_tensor.py?rev=10065&r1=10064&r2=10065&view=diff
==============================================================================
--- 1.3/data/align_tensor.py (original)
+++ 1.3/data/align_tensor.py Mon Dec  7 10:57:35 2009
@@ -795,8 +795,17 @@
     last_index.pop(min(x_index, z_index))
     y_index = last_index[0]
 
-    # Return the rotation matrix (with the columns reordered).
-    return array([rot[:,x_index], rot[:,y_index], rot[:,z_index]])
+    # Empty rotation matrix for index permutations.
+    rot_perm = zeros((3, 3), float64)
+
+    # Permute the rotation matrix.
+    perm = [x_index, y_index, z_index]
+    for i in range(3):
+        for j in range(3):
+            rot_perm[i, j] = rot[i, perm[j]]
+
+    # Return the permuted rotation matrix.
+    return rot_perm
 
 
 def calc_unit_x(rotation):