r26122 - /trunk/pipe_control/structure/main.py -- October 01, 2014 - 19:44

Author: bugman
Date: Wed Oct  1 19:44:41 2014
New Revision: 26122

URL: http://svn.gna.org/viewcvs/relax?rev=26122&view=rev
Log:
Fix for the new structure.align user function.

The translation and rotation of the structures at the end to the aligned 
positions was being
incorrectly performed.

Modified:
    trunk/pipe_control/structure/main.py

Modified: trunk/pipe_control/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=26122&r1=26121&r2=26122&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py        (original)
+++ trunk/pipe_control/structure/main.py        Wed Oct  1 19:44:41 2014
@@ -221,6 +221,7 @@
         T, R, pivot = fit_to_first(models=range(num), coord=coord, 
centre_type=centre_type, elements=elements, centroid=centroid)
 
     # Update to the new coordinates.
+    i = 0
     for pipe_index in range(len(pipes)):
         for model in models[pipe_index]:
             # Translate the molecule first (the rotational pivot is defined 
in the first model).
@@ -228,6 +229,9 @@
 
             # Rotate the molecule.
             rotate(R=R[i], origin=pivot[i], model=model, 
pipe_name=pipes[pipe_index])
+
+            # Increment the index.
+            i += 1
 
 
 def check_structure_func(pipe_name=None):