r19154 - /trunk/specific_analyses/frame_order.py -- March 24, 2013 - 22:26

Author: bugman
Date: Sun Mar 24 22:26:59 2013
New Revision: 19154

URL: http://svn.gna.org/viewcvs/relax?rev=19154&view=rev
Log:
The frame order analysis is now using the correct centre of mass function.


Modified:
    trunk/specific_analyses/frame_order.py

Modified: trunk/specific_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order.py?rev=19154&r1=19153&r2=19154&view=diff
==============================================================================
--- trunk/specific_analyses/frame_order.py (original)
+++ trunk/specific_analyses/frame_order.py Sun Mar 24 22:26:59 2013
@@ -40,7 +40,7 @@
 from pipe_control.interatomic import interatomic_loop, return_interatom
 from pipe_control.mol_res_spin import return_spin, spin_loop
 from pipe_control.structure import geometric
-from pipe_control.structure.mass import centre_of_mass
+from pipe_control.structure.mass import pipe_centre_of_mass
 from lib.structure.cones import Iso_cone, Pseudo_elliptic
 from lib.structure.internal.object import Internal
 from lib.structure.represent.rotor import rotor_pdb
@@ -972,7 +972,7 @@
         else:
             euler_to_R_zyz(0.0, cdp.ave_pos_beta, cdp.ave_pos_gamma, R)
         if cdp.ave_pos_pivot == 'com':
-            origin = centre_of_mass(atom_id=self._domain_moving(), 
verbosity=0)
+            origin = pipe_centre_of_mass(atom_id=self._domain_moving(), 
verbosity=0)
         else:
             origin = cdp.pivot
         structure.rotate(R=R, origin=origin, atom_id=self._domain_moving())
@@ -1059,7 +1059,7 @@
                 axis = axes[:,2]
 
             # Get the CoM of the entire molecule to use as the centre of the 
rotor.
-            com = centre_of_mass(verbosity=0)
+            com = pipe_centre_of_mass(verbosity=0)
 
             # Add the rotor object to the structure as a new molecule.
             rotor_pdb(structure=structure, rotor_angle=rotor_angle, 
axis=axis, axis_pt=cdp.pivot, centre=com, span=2e-9, blade_length=5e-10, 
staggered=False)
@@ -1524,7 +1524,7 @@
 
         # The centre of mass of the moving domain - to use as the centroid 
for the average domain position rotation.
         if cdp.ave_pos_pivot == 'com':
-            com = centre_of_mass(atom_id=self._domain_moving(), verbosity=0)
+            com = pipe_centre_of_mass(atom_id=self._domain_moving(), 
verbosity=0)
             ave_pos_piv_sync = False
 
         # The centre of mass of the moving domain - to use as the centroid 
for the average domain position rotation.