r12752 - /branches/relax_data/specific_fns/model_free/mf_minimise.py -- March 03, 2011 - 08:28

Author: bugman
Date: Thu Mar  3 08:28:59 2011
New Revision: 12752

URL: http://svn.gna.org/viewcvs/relax?rev=12752&view=rev
Log:
Fix for the call to _relax_data_opt_structs() from _minimise_data_setup().

This was being performed for each relaxation data set, but it should be done 
only once per spin!


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=12752&r1=12751&r2=12752&view=diff
==============================================================================
--- branches/relax_data/specific_fns/model_free/mf_minimise.py (original)
+++ branches/relax_data/specific_fns/model_free/mf_minimise.py Thu Mar  3 
08:28:59 2011
@@ -904,18 +904,18 @@
                 elif spin.ri_data_err[ri_id] < 0.0:
                     raise RelaxError("Negative error for spin '" + 
repr(spin.num) + " " + spin.name + "', minimisation not possible.")
 
-                # The relaxation data optimisation structures.
-                data = self._relax_data_opt_structs(spin, 
sim_index=sim_index)
-
-                # Append the data.
-                ri_data.append(data[0])
-                ri_data_err.append(data[1])
-                num_frq.append(data[2])
-                num_ri.append(data[3])
-                ri_types.append(data[4])
-                frq.append(data[5])
-                remap_table.append(data[6])
-                noe_r1_table.append(data[7])
+            # The relaxation data optimisation structures.
+            data = self._relax_data_opt_structs(spin, sim_index=sim_index)
+
+            # Append the data.
+            ri_data.append(data[0])
+            ri_data_err.append(data[1])
+            num_frq.append(data[2])
+            num_ri.append(data[3])
+            ri_types.append(data[4])
+            frq.append(data[5])
+            remap_table.append(data[6])
+            noe_r1_table.append(data[7])
 
             # Repackage the data.
             equations.append(spin.equation)
@@ -1086,7 +1086,6 @@
 
         # Loop over the spins.
         for spin in spin_loop(spin_id):
-            print spin
             # Skip deselected spins.
             if not spin.select:
                 continue