r5195 - /1.3/specific_fns/model_free/mf_minimise.py -- March 23, 2008 - 15:44

Author: bugman
Date: Sun Mar 23 15:43:52 2008
New Revision: 5195

URL: http://svn.gna.org/viewcvs/relax?rev=5195&view=rev
Log:
Passed all the necessary data into minimise_data_setup().


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=5195&r1=5194&r2=5195&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Sun Mar 23 15:43:52 2008
@@ -910,7 +910,7 @@
             h_count = 0
 
             # Get the data for minimisation.
-            relax_data, relax_error, equations, param_types, param_values, 
r, csa, num_frq, frq, num_ri, remap_table, noe_r1_table, ri_labels, 
num_params, xh_unit_vectors, diff_type, diff_params = 
self.minimise_data_setup()
+            relax_data, relax_error, equations, param_types, param_values, 
r, csa, num_frq, frq, num_ri, remap_table, noe_r1_table, ri_labels, 
num_params, xh_unit_vectors, diff_type, diff_params = 
self.minimise_data_setup(param_set, min_algor, num_data_sets, spin=spin, 
sim_index=sim_index)
 
 
             # Initialise the function to minimise.
@@ -1069,15 +1069,28 @@
                     cdp.warning = warning
 
 
-    def minimise_data_setup(self):
+    def minimise_data_setup(self, param_set, min_algor, num_data_sets, 
spin=None, sim_index=None):
         """Set up all the data required for minimisation.
 
-        @return:        An insane tuple.  The full tuple is (relax_data, 
relax_error, equations,
-                        param_types, param_values, r, csa, num_frq, frq, 
num_ri, remap_table,
-                        noe_r1_table, ri_labels, num_params, 
xh_unit_vectors, diff_type,
-                        diff_params)
-        @rtype:         tuple
+        @param param_set:       The parameter set, one of 'all', 'diff', 
'mf', or 'local_tm'.
+        @type param_set:        str
+        @param min_algor:       The minimisation algorithm to use.
+        @type min_algor:        str
+        @param num_data_sets:   The number of data sets.
+        @type num_data_sets:    int
+        @keyword spin:          The spin data container.
+        @type spin:             SpinContainer instance
+        @keyword sim_index:     The optional MC simulation index.
+        @type sim_index:        int
+        @return:                An insane tuple.  The full tuple is 
(relax_data, relax_error,
+                                equations, param_types, param_values, r, 
csa, num_frq, frq, num_ri,
+                                remap_table, noe_r1_table, ri_labels, 
num_params, xh_unit_vectors,
+                                diff_type, diff_params)
+        @rtype:                 tuple
         """
+
+        # Alias the current data pipe.
+        cdp = relax_data_store[relax_data_store.current_pipe]
 
         # Initialise the data structures for the model-free function.
         relax_data = []