mailr12744 - /branches/relax_data/specific_fns/model_free/mf_minimise.py


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Posted by edward on March 02, 2011 - 20:29:
Author: bugman
Date: Wed Mar  2 20:29:14 2011
New Revision: 12744

URL: http://svn.gna.org/viewcvs/relax?rev=12744&view=rev
Log:
Fixes for the model-free calculate() method - spin.relax_error no longer 
exists.


Modified:
    branches/relax_data/specific_fns/model_free/mf_minimise.py

Modified: branches/relax_data/specific_fns/model_free/mf_minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/model_free/mf_minimise.py?rev=12744&r1=12743&r2=12744&view=diff
==============================================================================
--- branches/relax_data/specific_fns/model_free/mf_minimise.py (original)
+++ branches/relax_data/specific_fns/model_free/mf_minimise.py Wed Mar  2 
20:29:14 2011
@@ -1086,6 +1086,7 @@
 
         # Loop over the spins.
         for spin in spin_loop(spin_id):
+            print spin
             # Skip deselected spins.
             if not spin.select:
                 continue
@@ -1120,14 +1121,14 @@
                 raise RelaxNoValueError("bond length")
 
             # Skip spins where there is no data or errors.
-            if not hasattr(spin, 'ri_data') or not hasattr(spin, 
'relax_error'):
+            if not hasattr(spin, 'ri_data') or not hasattr(spin, 
'ri_data_err'):
                 continue
 
             # Make sure that the errors are strictly positive numbers.
-            for j in xrange(len(spin.relax_error)):
-                if spin.relax_error[j] == 0.0:
+            for ri_id in cdp.ri_ids:
+                if spin.ri_data_err[ri_id] == 0.0:
                     raise RelaxError("Zero error for spin '" + 
repr(spin.num) + " " + spin.name + "', calculation not possible.")
-                elif spin.relax_error[j] < 0.0:
+                elif spin.ri_data_err[ri_id] < 0.0:
                     raise RelaxError("Negative error for spin '" + 
repr(spin.num) + " " + spin.name + "', calculation not possible.")
 
             # Create the initial parameter vector.




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