r7103 - /1.3/specific_fns/jw_mapping.py -- August 08, 2008 - 06:12

Author: bugman
Date: Thu Aug  7 23:53:41 2008
New Revision: 7103

URL: http://svn.gna.org/viewcvs/relax?rev=7103&view=rev
Log:
Updated the sim_pack_data() method to the new design.


Modified:
    1.3/specific_fns/jw_mapping.py

Modified: 1.3/specific_fns/jw_mapping.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/jw_mapping.py?rev=7103&r1=7102&r2=7103&view=diff
==============================================================================
--- 1.3/specific_fns/jw_mapping.py (original)
+++ 1.3/specific_fns/jw_mapping.py Thu Aug  7 23:53:41 2008
@@ -485,15 +485,25 @@
         spin.select_sim = select_sim
 
 
-    def sim_pack_data(self, spin, sim_data):
-        """Function for packing Monte Carlo simulation data."""
+    def sim_pack_data(self, spin_id, sim_data):
+        """Pack the Monte Carlo simulation data.
+
+        @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(ds.res[run][i], 'relax_sim_data'):
+        if hasattr(spin, 'relax_sim_data'):
             raise RelaxError, "Monte Carlo simulation data already exists."
 
         # Create the data structure.
-        ds.res[run][i].relax_sim_data = sim_data
+        spin.relax_sim_data = sim_data
 
 
     def write_columnar_line(self, file=None, num=None, name=None, 
select=None, data_set=None, heteronuc_type=None, wH=None, j0=None, jwx=None, 
jwh=None, r=None, csa=None, ri_labels=None, remap_table=None, 
frq_labels=None, frq=None, ri=None, ri_error=None):