r7097 - /1.3/specific_fns/relax_fit.py -- August 08, 2008 - 06:12

Author: bugman
Date: Thu Aug  7 22:47:31 2008
New Revision: 7097

URL: http://svn.gna.org/viewcvs/relax?rev=7097&view=rev
Log:
Updated create_mc_data() and sim_pack_data() to accept the spin_id yielded by 
base_data_loop().


Modified:
    1.3/specific_fns/relax_fit.py

Modified: 1.3/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_fit.py?rev=7097&r1=7096&r2=7097&view=diff
==============================================================================
--- 1.3/specific_fns/relax_fit.py (original)
+++ 1.3/specific_fns/relax_fit.py Thu Aug  7 22:47:31 2008
@@ -35,7 +35,7 @@
 from dep_check import C_module_exp_fn
 from base_class import Common_functions
 from generic_fns import intensity
-from generic_fns.mol_res_spin import count_spins, exists_mol_res_spin_data, 
generate_spin_id, return_spin_from_index, spin_loop
+from generic_fns.mol_res_spin import count_spins, exists_mol_res_spin_data, 
generate_spin_id, return_spin, return_spin_from_index, spin_loop
 from minfx.generic import generic_minimise
 from relax_errors import RelaxError, RelaxFuncSetupError, RelaxLenError, 
RelaxNoModelError, RelaxNoPipeError, RelaxNoSequenceError
 
@@ -203,17 +203,21 @@
         return results[relax_time_index]
 
 
-    def create_mc_data(self, spin):
+    def create_mc_data(self, spin_id):
         """Create the Monte Carlo peak intensity data.
 
-        @param spin:    The spin container.
-        @type spin:     SpinContainer instance
+        @param spin_id: The spin identification string, as yielded by the 
base_data_loop() generator
+                        method.
+        @type spin_id:  str
         @return:        The Monte Carlo simulation data.
         @rtype:         list of floats
         """
 
         # Initialise the MC data data structure.
         mc_data = []
+
+        # Get the spin container.
+        spin = return_spin(spin_id)
 
         # Skip deselected spins.
         if not spin.select:
@@ -1195,14 +1199,18 @@
         spin.select_sim = select_sim
 
 
-    def sim_pack_data(self, spin, sim_data):
+    def sim_pack_data(self, spin_id, sim_data):
         """Pack the Monte Carlo simulation data.
 
-        @param spin:        The spin container.
-        @type spin:         SpinContainer instance
+        @param spin_id:     The spin identification string, as yielded by 
the base_data_loop()
+                            generator method.
+        @type spin_id:      str
         @param sim_data:    The Monte Carlo simulation data.
         @type sim_data:     list of float
         """
+
+        # Get the spin container.
+        spin = return_spin(spin_id)
 
         # Test if the simulation data already exists.
         if hasattr(spin, 'sim_intensities'):