r14779 - /1.3/specific_fns/model_free/mf_minimise.py -- October 05, 2011 - 10:44

Author: bugman
Date: Wed Oct  5 10:44:50 2011
New Revision: 14779

URL: http://svn.gna.org/viewcvs/relax?rev=14779&view=rev
Log:
The checks in the model-free analyses for correct ri errors now prints out 
the spin ID string.

The previous errors only showed the spin number and name, causing confusion
(https://mail.gna.org/public/relax-users/2011-10/msg00001.html, Message-id:
<CAO2iSXGUNupwuz4s-gNdRAdB3i6zQCsuem2_EFjgHOPq+6SL5g@xxxxxxxxxxxxxx>).


Modified:
    1.3/specific_fns/model_free/mf_minimise.py

Modified: 1.3/specific_fns/model_free/mf_minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/mf_minimise.py?rev=14779&r1=14778&r2=14779&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Wed Oct  5 10:44:50 2011
@@ -1049,7 +1049,7 @@
             # Set the spin index and get the spin, if not already set.
             if data_store.model_type == 'diff' or data_store.model_type == 
'all':
                 spin_index = j
-                spin = return_spin_from_index(global_index=spin_index)
+                spin, spin_id = 
return_spin_from_index(global_index=spin_index, return_spin_id=True)
 
             # Skip deselected spins.
             if not spin.select:
@@ -1063,9 +1063,9 @@
             for ri_id in cdp.ri_ids:
                 # Make sure that the errors are strictly positive numbers.
                 if spin.ri_data_err[ri_id] == 0.0:
-                    raise RelaxError("Zero error for spin '" + 
repr(spin.num) + " " + spin.name + "', minimisation not possible.")
+                    raise RelaxError("Zero error for spin '%s', minimisation 
not possible." % spin_id)
                 elif spin.ri_data_err[ri_id] < 0.0:
-                    raise RelaxError("Negative error for spin '" + 
repr(spin.num) + " " + spin.name + "', minimisation not possible.")
+                    raise RelaxError("Negative error for spin '%s', 
minimisation not possible." % spin_id)
 
             # The relaxation data optimisation structures.
             data = self._relax_data_opt_structs(spin, sim_index=sim_index)