r14906 - /1.3/specific_fns/n_state_model.py -- October 24, 2011 - 17:52

Author: bugman
Date: Mon Oct 24 17:52:47 2011
New Revision: 14906

URL: http://svn.gna.org/viewcvs/relax?rev=14906&view=rev
Log:
Bug fixes for the n_state_model.cone_pdb user function.

The code was old and not functional any more.


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=14906&r1=14905&r2=14906&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Mon Oct 24 17:52:47 2011
@@ -458,14 +458,14 @@
         # Generate the cone outer edge.
         print("\nGenerating the cone outer edge.")
         cap_start_atom = mol.atom_num[-1]+1
-        generic_fns.structure.geometric.cone_edge(mol=mol, res_name='CON', 
res_num=3, apex=cdp.pivot_point, R=R, phi_max_fn=cone.phi_max, 
length=norm(cdp.pivot_CoM), inc=inc)
+        generic_fns.structure.geometric.cone_edge(mol=mol, cone=cone, 
res_name='CON', res_num=3, apex=cdp.pivot_point, R=R, 
scale=norm(cdp.pivot_CoM), inc=inc)
 
         # Generate the cone cap, and stitch it to the cone edge.
         if cone_type == 'diff in cone':
             print("\nGenerating the cone cap.")
             cone_start_atom = mol.atom_num[-1]+1
-            generic_fns.structure.geometric.generate_vector_dist(mol=mol, 
res_name='CON', res_num=3, centre=cdp.pivot_point, R=R, max_angle=angle, 
scale=norm(cdp.pivot_CoM), inc=inc)
-            generic_fns.structure.geometric.stitch_cap_to_cone(mol=mol, 
cone_start=cone_start_atom, cap_start=cap_start_atom+1, max_angle=angle, 
inc=inc)
+            generic_fns.structure.geometric.generate_vector_dist(mol=mol, 
res_name='CON', res_num=3, centre=cdp.pivot_point, R=R, 
limit_check=cone.limit_check, scale=norm(cdp.pivot_CoM), inc=inc)
+            generic_fns.structure.geometric.stitch_cone_to_edge(mol=mol, 
cone=cone, dome_start=cone_start_atom, edge_start=cap_start_atom+1, inc=inc)
 
         # Create the PDB file.
         print("\nGenerating the PDB file.")