r5100 - /1.3/specific_fns/n_state_model.py -- February 21, 2008 - 12:42

Author: bugman
Date: Thu Feb 21 12:42:06 2008
New Revision: 5100

URL: http://svn.gna.org/viewcvs/relax?rev=5100&view=rev
Log:
Changed the residue numbering for the cone models.

The numbering is now:
    1:  Pivot point.
    2:  Average pivot-CoM vectors.
    3:  Cone outer edge.
    4:  Cone cap (for diffusion in a cone).


Modified:
    1.3/specific_fns/n_state_model.py

Modified: 1.3/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/n_state_model.py?rev=5100&r1=5099&r2=5100&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Thu Feb 21 12:42:06 2008
@@ -231,12 +231,12 @@
             angle = cdp.theta_diff_in_cone
         elif cone_type == 'diff on cone':
             angle = cdp.theta_diff_on_cone
-        generic_fns.structure.cone_edge(atomic_data=atomic_data, 
res_num=res_num+1, apex=cdp.pivot_point, 
axis=cdp.ave_pivot_CoM/norm(cdp.ave_pivot_CoM), angle=angle, 
length=norm(cdp.pivot_CoM), inc=20)
+        generic_fns.structure.cone_edge(atomic_data=atomic_data, res_num=3, 
apex=cdp.pivot_point, axis=cdp.ave_pivot_CoM/norm(cdp.ave_pivot_CoM), 
angle=angle, length=norm(cdp.pivot_CoM), inc=20)
 
         # Generate the cone cap.
         if cone_type == 'diff in cone':
             print "\nGenerating the cone cap."
-            
generic_fns.structure.generate_vector_dist(atomic_data=atomic_data, 
res_num=res_num+2, centre=cdp.pivot_point, rotation=None, max_angle=angle, 
scale=norm(cdp.pivot_CoM), inc=20)
+            
generic_fns.structure.generate_vector_dist(atomic_data=atomic_data, 
res_num=4, centre=cdp.pivot_point, rotation=None, max_angle=angle, 
scale=norm(cdp.pivot_CoM), inc=20)
 
         # Terminate the chain.
         generic_fns.structure.terminate(atomic_data=atomic_data, 
res_num=res_num)