r25981 - /branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py -- September 23, 2014 - 20:05

Author: bugman
Date: Tue Sep 23 20:05:55 2014
New Revision: 25981

URL: http://svn.gna.org/viewcvs/relax?rev=25981&view=rev
Log:
Fixes for the specific_analyses.frame_order.geometric.average_position() 
function.

The recent trunk changes with the structural object Internal_selection class 
required a change in
this function.


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

Modified: 
branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py?rev=25981&r1=25980&r2=25981&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py   
  (original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py   
  Tue Sep 23 20:05:55 2014
@@ -502,6 +502,9 @@
     @type sim:          bool
     """
 
+    # The selection object.
+    selection = structure.selection(atom_id=domain_moving())
+
     # Loop over each model.
     for i in range(len(models)):
         # First rotate the moving domain to the average position.
@@ -517,14 +520,14 @@
             else:
                 euler_to_R_zyz(0.0, cdp.ave_pos_beta, cdp.ave_pos_gamma, R)
         origin = pipe_centre_of_mass(atom_id=domain_moving(), verbosity=0)
-        structure.rotate(R=R, origin=origin, model=models[i], 
atom_id=domain_moving())
+        structure.rotate(R=R, origin=origin, model=models[i], 
selection=selection)
 
         # Then translate the moving domain.
         if sim:
             T = [cdp.ave_pos_x_sim[i], cdp.ave_pos_y_sim[i], 
cdp.ave_pos_z_sim[i]]
         else:
             T = [cdp.ave_pos_x, cdp.ave_pos_y, cdp.ave_pos_z]
-        structure.translate(T=T, model=models[i], atom_id=domain_moving())
+        structure.translate(T=T, model=models[i], selection=selection)
 
 
 def create_ave_pos(format='PDB', file=None, dir=None, compress_type=0, 
model=1, force=False):