mailr6804 - /1.3/generic_fns/structure/main.py


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Posted by edward on July 07, 2008 - 16:07:
Author: bugman
Date: Mon Jul  7 15:41:36 2008
New Revision: 6804

URL: http://svn.gna.org/viewcvs/relax?rev=6804&view=rev
Log:
Fixed the setting up of the bond vector inside the SpinContainer.


Modified:
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=6804&r1=6803&r2=6804&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Mon Jul  7 15:41:36 2008
@@ -277,9 +277,9 @@
 
     # Set the variable name in which the vectors will be stored.
     if proton:
-        object = 'xh_vect'
+        object_name = 'xh_vect'
     else:
-        object = 'bond_vect'
+        object_name = 'bond_vect'
 
     # Header print out.
     write_header(sys.stdout, mol_name_flag=True, res_num_flag=True, 
res_name_flag=True, spin_num_flag=True, spin_name_flag=True)
@@ -344,7 +344,7 @@
             vector = ave_vector / float(len(bond_vectors))
 
         # Set the vector.
-        spin.bond_vect = vector
+        setattr(spin, object_name, vector)
 
         # Print out of modified spins.
         write_line(sys.stdout, mol_name, res_num, res_name, spin.num, 
spin.name, mol_name_flag=True, res_num_flag=True, res_name_flag=True, 
spin_num_flag=True, spin_name_flag=True)




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