r5376 - /1.3/specific_fns/n_state_model.py -- April 07, 2008 - 17:08

Author: bugman
Date: Mon Apr  7 17:08:52 2008
New Revision: 5376

URL: http://svn.gna.org/viewcvs/relax?rev=5376&view=rev
Log:
The cone_pdb() method is now calling the geometric object functions in the 
correct locations.


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=5376&r1=5375&r2=5376&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Mon Apr  7 17:08:52 2008
@@ -30,6 +30,7 @@
 from data import Data as relax_data_store
 from float import isNaN, isInf
 import generic_fns
+import generic_fns.structure.geometric
 import generic_fns.structure.mass
 from generic_fns.structure.internal_pdb import Internal_PDB
 from maths_fns.n_state_model import N_state_opt
@@ -229,7 +230,7 @@
         sim_vectors = None
         if hasattr(cdp, 'ave_pivot_CoM_sim'):
             sim_vectors = cdp.ave_pivot_CoM_sim
-        res_num = 
generic_fns.structure.generate_vector_residues(atomic_data=atomic_data, 
vector=cdp.ave_pivot_CoM, atom_name='Ave', res_name_vect='AVE', 
sim_vectors=sim_vectors, res_num=2, origin=cdp.pivot_point, scale=scale)
+        res_num = 
generic_fns.structure.geometric.generate_vector_residues(atomic_data=atomic_data,
 vector=cdp.ave_pivot_CoM, atom_name='Ave', res_name_vect='AVE', 
sim_vectors=sim_vectors, res_num=2, origin=cdp.pivot_point, scale=scale)
 
         # Generate the cone outer edge.
         print "\nGenerating the cone outer edge."
@@ -237,13 +238,13 @@
             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_name='CON', res_num=3, apex=cdp.pivot_point, R=R, angle=angle, 
length=norm(cdp.pivot_CoM), inc=inc)
+        generic_fns.structure.geometric.cone_edge(atomic_data=atomic_data, 
res_name='CON', res_num=3, apex=cdp.pivot_point, R=R, angle=angle, 
length=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."
-            
generic_fns.structure.generate_vector_dist(atomic_data=atomic_data, 
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.stitch_cap_to_cone(atomic_data=atomic_data, 
max_angle=angle, inc=inc)
+            
generic_fns.structure.geometric.generate_vector_dist(atomic_data=atomic_data, 
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(atomic_data=atomic_data, 
max_angle=angle, inc=inc)
 
         # Terminate the chain.
         structure.terminate(res_num=res_num)