mailr7214 - /1.3/specific_fns/n_state_model.py


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Posted by edward on August 20, 2008 - 21:18:
Author: bugman
Date: Wed Aug 20 20:42:37 2008
New Revision: 7214

URL: http://svn.gna.org/viewcvs/relax?rev=7214&view=rev
Log:
The structural data structure for the cone is now properly initialised.


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=7214&r1=7213&r2=7214&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Wed Aug 20 20:42:37 2008
@@ -32,7 +32,7 @@
 import generic_fns
 import generic_fns.structure.geometric
 import generic_fns.structure.mass
-from generic_fns.structure.internal import Internal
+from generic_fns.structure.internal import Internal, Structure_container
 from maths_fns.n_state_model import N_state_opt
 from maths_fns.rotation_matrix import R_2vect, R_euler_zyz
 from minfx.generic import generic_minimise
@@ -221,6 +221,9 @@
 
         # Create the structural object.
         structure = Internal()
+
+        # Add a structure.
+        structure.structural_data.append(Structure_container())
 
         # Add the pivot point.
         structure.atom_add(pdb_record='HETATM', atom_name='R', 
res_name='PIV', res_num=1, pos=cdp.pivot_point, element='C')




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