r25738 - /branches/frame_order_cleanup/specific_analyses/frame_order/uf.py -- September 10, 2014 - 21:33

Author: bugman
Date: Wed Sep 10 21:33:37 2014
New Revision: 25738

URL: http://svn.gna.org/viewcvs/relax?rev=25738&view=rev
Log:
Bug fix for the new frame_order.permute_axes user function.

The cone and torsion angles were not being correctly permuted.  Now the 
direct permutation array is
being used.  And the fact that cone_theta_x is a rotation along the y-axis 
and cone_theta_y along
the x-axis is taken into account.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/uf.py

Modified: branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/uf.py?rev=25738&r1=25737&r2=25738&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/uf.py    
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/uf.py    Wed 
Sep 10 21:33:37 2014
@@ -188,11 +188,11 @@
     print("%-20s %-20s" % ("permutation", perm))
     print("%-20s %-20s" % ("z-axis inversion", inv))
 
-    # Permute the angles.
-    cdp.cone_theta_x = angles[perm.index(0)]
-    cdp.cone_theta_y = angles[perm.index(1)]
+    # Permute the angles (note that cone_theta_x is a rotation about the 
y-axis and cone_theta_y about the x-axis).
+    cdp.cone_theta_x = angles[perm[1]]
+    cdp.cone_theta_y = angles[perm[0]]
     if cdp.model == MODEL_PSEUDO_ELLIPSE:
-        cdp.cone_sigma_max = angles[perm.index(2)]
+        cdp.cone_sigma_max = angles[perm[2]]
 
     # Permute the axes and invert the z-axis as necessary.
     frame_new = transpose(array([inv[0]*frame[:, perm[0]], inv[1]*frame[:, 
perm[1]], inv[2]*frame[:, perm[2]]], float64))