r15125 - /branches/frame_order_testing/generic_fns/structure/main.py -- January 02, 2012 - 22:38

Author: bugman
Date: Mon Jan  2 22:38:24 2012
New Revision: 15125

URL: http://svn.gna.org/viewcvs/relax?rev=15125&view=rev
Log:
Fix for the structure.get_pos user function.

This has been updated for the atom_loop() structural API method change.


Modified:
    branches/frame_order_testing/generic_fns/structure/main.py

Modified: branches/frame_order_testing/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/structure/main.py?rev=15125&r1=15124&r2=15125&view=diff
==============================================================================
--- branches/frame_order_testing/generic_fns/structure/main.py (original)
+++ branches/frame_order_testing/generic_fns/structure/main.py Mon Jan  2 
22:38:24 2012
@@ -241,14 +241,7 @@
         raise RelaxNoPdbError
 
     # Loop over all atoms of the spin_id selection.
-    model_index = -1
-    last_model = None
-    for model_num, mol_name, res_num, res_name, atom_num, atom_name, 
element, pos in cdp.structure.atom_loop(atom_id=spin_id, str_id=str_id, 
model_num_flag=True, 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, ave=ave_pos):
-        # Update the model info.
-        if last_model != model_num:
-            model_index = model_index + 1
-            last_model = model_num
-
+    for mol_name, res_num, res_name, atom_num, atom_name, element, pos in 
cdp.structure.atom_loop(atom_id=spin_id, str_id=str_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, ave=ave_pos):
         # Remove the '+' regular expression character from the mol, res, and 
spin names!
         if mol_name and search('\+', mol_name):
             mol_name = replace(mol_name, '+', '')