r16982 - /branches/interatomic/specific_fns/model_free/results.py -- June 19, 2012 - 23:18

Author: bugman
Date: Tue Jun 19 23:18:40 2012
New Revision: 16982

URL: http://svn.gna.org/viewcvs/relax?rev=16982&view=rev
Log:
Even more fixes for the reading of relax 1.2 results files for the 
interatomic data design.


Modified:
    branches/interatomic/specific_fns/model_free/results.py

Modified: branches/interatomic/specific_fns/model_free/results.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/specific_fns/model_free/results.py?rev=16982&r1=16981&r2=16982&view=diff
==============================================================================
--- branches/interatomic/specific_fns/model_free/results.py (original)
+++ branches/interatomic/specific_fns/model_free/results.py Tue Jun 19 
23:18:40 2012
@@ -125,12 +125,7 @@
             cdp.diff_tensor.fixed = diff_fixed
 
         # Set the spin specific fixed flags.
-        for spin in spin_loop():
-            # Skip deselected spins.
-            if not spin.select:
-                continue
-
-            # Set the fixed flag.
+        for spin, id in spin_loop(return_id=True):
             if mf_fixed != None:
                 spin.fixed = mf_fixed
 
@@ -700,6 +695,7 @@
             if data_set == 'value':
                 h_spin = create_spin(mol_name=mol_name, res_num=res_num, 
res_name=res_name, spin_name='H')
                 h_spin.select = False
+                h_spin.isotope = '1H'
                 spin_id2 = generate_spin_id(mol_name=mol_name, 
res_num=res_num, res_name=res_name, spin_name='H')
                 dipole_pair.define(spin_id, spin_id2, verbose=False)