mailr19150 - in /trunk: lib/structure/represent/cone.py specific_analyses/n_state_model.py


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Posted by edward on March 24, 2013 - 21:55:
Author: bugman
Date: Sun Mar 24 21:55:58 2013
New Revision: 19150

URL: http://svn.gna.org/viewcvs/relax?rev=19150&view=rev
Log:
Fixes for the cone PDB representation.


Modified:
    trunk/lib/structure/represent/cone.py
    trunk/specific_analyses/n_state_model.py

Modified: trunk/lib/structure/represent/cone.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/represent/cone.py?rev=19150&r1=19149&r2=19150&view=diff
==============================================================================
--- trunk/lib/structure/represent/cone.py (original)
+++ trunk/lib/structure/represent/cone.py Sun Mar 24 21:55:58 2013
@@ -25,6 +25,7 @@
 
 # relax module imports.
 from lib.geometry.rotations import two_vect_to_R
+from pipe_control.structure.geometric import angles_uniform, get_proton_name
 
 
 def cone_edge(mol=None, cone=None, res_name='CON', res_num=None, 
chain_id='', apex=None, axis=None, R=None, scale=None, inc=None, 
distribution='uniform', debug=False):

Modified: trunk/specific_analyses/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/n_state_model.py?rev=19150&r1=19149&r2=19150&view=diff
==============================================================================
--- trunk/specific_analyses/n_state_model.py (original)
+++ trunk/specific_analyses/n_state_model.py Sun Mar 24 21:55:58 2013
@@ -47,6 +47,7 @@
 from lib.errors import RelaxError, RelaxInfError, RelaxNaNError, 
RelaxNoModelError, RelaxNoValueError, RelaxSpinTypeError
 from lib.io import open_write_file
 from lib.structure.cones import Iso_cone
+from lib.structure.represent.cone import cone_edge, stitch_cone_to_edge
 from lib.structure.internal.object import Internal
 from lib.warnings import RelaxWarning
 from specific_analyses.api_base import API_base
@@ -521,14 +522,14 @@
         # Generate the cone outer edge.
         print("\nGenerating the cone outer edge.")
         cap_start_atom = mol.atom_num[-1]+1
-        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)
+        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
             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)
-            geometric.stitch_cone_to_edge(mol=mol, cone=cone, 
dome_start=cone_start_atom, edge_start=cap_start_atom+1, inc=inc)
+            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.")




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