mailr12754 - /branches/relax_data/specific_fns/model_free/main.py


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Posted by edward on March 03, 2011 - 09:49:
Author: bugman
Date: Thu Mar  3 09:49:38 2011
New Revision: 12754

URL: http://svn.gna.org/viewcvs/relax?rev=12754&view=rev
Log:
The model-free sim_pack_data() now converts the sim_data structure into a 
dictionary with Rx IDs.


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

Modified: branches/relax_data/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/model_free/main.py?rev=12754&r1=12753&r2=12754&view=diff
==============================================================================
--- branches/relax_data/specific_fns/model_free/main.py (original)
+++ branches/relax_data/specific_fns/model_free/main.py Thu Mar  3 09:49:38 
2011
@@ -2796,8 +2796,20 @@
         if hasattr(spin, 'ri_data_sim'):
             raise RelaxError("Monte Carlo simulation data already exists.")
 
-        # Create the data structure.
-        spin.ri_data_sim = sim_data
+        # Initialise the data structure.
+        spin.ri_data_sim = {}
+
+        # Loop over the relaxation data.
+        for i in range(len(cdp.ri_ids)):
+            # The ID.
+            ri_id = cdp.ri_ids[i]
+
+            # Initialise the MC data list.
+            spin.ri_data_sim[ri_id] = []
+
+            # Loop over the simulations.
+            for j in range(cdp.sim_number):
+                spin.ri_data_sim[ri_id].append(sim_data[j][i])
 
 
     def sim_return_chi2(self, model_info, index=None):




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