r14937 - /1.3/generic_fns/structure/api_base.py -- October 26, 2011 - 17:28

Author: bugman
Date: Wed Oct 26 17:28:40 2011
New Revision: 14937

URL: http://svn.gna.org/viewcvs/relax?rev=14937&view=rev
Log:
Fix for the structure.displacement user function.

The kabsch() function now returns the pivot of the rotation as well.


Modified:
    1.3/generic_fns/structure/api_base.py

Modified: 1.3/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/api_base.py?rev=14937&r1=14936&r2=14937&view=diff
==============================================================================
--- 1.3/generic_fns/structure/api_base.py (original)
+++ 1.3/generic_fns/structure/api_base.py Wed Oct 26 17:28:40 2011
@@ -873,7 +873,7 @@
             self._rotation_angle[model_from] = {}
 
         # The Kabsch algorithm.
-        trans_vect, trans_dist, R, axis, angle = kabsch(name_from='model 
%s'%model_from, name_to='model %s'%model_to, coord_from=coord_from, 
coord_to=coord_to, centroid=centroid)
+        trans_vect, trans_dist, R, axis, angle, pivot = 
kabsch(name_from='model %s'%model_from, name_to='model %s'%model_to, 
coord_from=coord_from, coord_to=coord_to, centroid=centroid)
 
         # Store the data.
         self._translation_vector[model_from][model_to] = trans_vect