r17124 - /branches/interatomic/specific_fns/model_free/main.py -- July 02, 2012 - 14:30

Author: bugman
Date: Mon Jul  2 14:30:51 2012
New Revision: 17124

URL: http://svn.gna.org/viewcvs/relax?rev=17124&view=rev
Log:
Fix for the model-free analysis _assemble_param_vector() method for the new 
interatomic data design.

The proton spins with no parameters must be skipped.


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

Modified: branches/interatomic/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/specific_fns/model_free/main.py?rev=17124&r1=17123&r2=17124&view=diff
==============================================================================
--- branches/interatomic/specific_fns/model_free/main.py (original)
+++ branches/interatomic/specific_fns/model_free/main.py Mon Jul  2 14:30:51 
2012
@@ -228,7 +228,7 @@
                     param_vector.append(cdp.diff_tensor.beta_sim[sim_index])
                     param_vector.append(cdp.diff_tensor.gamma_sim[sim_index])
 
-        # Model-free parameters (residue specific parameters).
+        # Model-free parameters (spin specific parameters).
         if model_type != 'diff':
             # The loop.
             if spin:
@@ -238,8 +238,12 @@
 
             # Loop over the spins.
             for spin in loop:
-                # Skip deselected residues.
+                # Skip deselected spins.
                 if not spin.select:
+                    continue
+
+                # Skip spins with no parameters.
+                if not hasattr(spin, 'params'):
                     continue
 
                 # Loop over the model-free parameters.