r15300 - /branches/frame_order_testing/specific_fns/frame_order.py -- February 03, 2012 - 13:38

Author: bugman
Date: Fri Feb  3 13:38:36 2012
New Revision: 15300

URL: http://svn.gna.org/viewcvs/relax?rev=15300&view=rev
Log:
Fix for the frame order cone PDB creation for the models with the cone_s1 
order parameter.

The cone angle is no longer stored as cdp.cone_theta, so is now generated on 
the fly.


Modified:
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=15300&r1=15299&r2=15300&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Fri Feb  3 
13:38:36 2012
@@ -435,7 +435,14 @@
 
             # The isotropic cone object.
             else:
-                cone = Iso_cone(cdp.cone_theta)
+                # The angle.
+                if hasattr(cdp, 'cone_theta'):
+                    cone_theta = cdp.cone_theta
+                elif hasattr(cdp, 'cone_s1'):
+                    cone_theta = 
order_parameters.iso_cone_S_to_theta(cdp.cone_s1)
+
+                # The object.
+                cone = Iso_cone(cone_theta)
 
             # Create the positive and negative cones.
             create_cone_pdb(mol=mol, cone=cone, start_res=mol.res_num[-1]+1, 
apex=cdp.pivot, R=R_pos, inc=inc, distribution='regular')