mailr5525 - /1.3/generic_fns/structure/main.py


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Posted by edward on April 10, 2008 - 11:29:
Author: bugman
Date: Thu Apr 10 11:29:51 2008
New Revision: 5525

URL: http://svn.gna.org/viewcvs/relax?rev=5525&view=rev
Log:
Fixed the atom_loop() call in load_spins().


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=5525&r1=5524&r2=5525&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Thu Apr 10 11:29:51 2008
@@ -53,7 +53,7 @@
     cdp = relax_data_store[relax_data_store.current_pipe]
 
     # Loop over all atoms of the spin_id selection.
-    for mol_name, res_num, res_name, spin_num, spin_name, pos in 
cdp.structure.atom_loop(atom_id=spin_id, pos=True):
+    for mol_name, res_num, res_name, atom_num, atom_name, element, pos in 
cdp.structure.atom_loop(atom_id=spin_id, mol_name_flag=True, 
res_num_flag=True, res_name_flag=True, atom_num_flag=True, 
atom_name_flag=True, element_flag=True, pos_flag=True):
         # Initialise the identification string.
         id = ''
 




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