r16518 - /branches/uf_redesign/specific_fns/relax_fit.py -- May 29, 2012 - 17:31

Author: bugman
Date: Tue May 29 17:31:07 2012
New Revision: 16518

URL: http://svn.gna.org/viewcvs/relax?rev=16518&view=rev
Log:
Fixes and improvements to the relaxation curve-fitting specific analysis 
param list object.

The data_init() method has also been modified to only pull out the model 
parameters.


Modified:
    branches/uf_redesign/specific_fns/relax_fit.py

Modified: branches/uf_redesign/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/specific_fns/relax_fit.py?rev=16518&r1=16517&r2=16518&view=diff
==============================================================================
--- branches/uf_redesign/specific_fns/relax_fit.py (original)
+++ branches/uf_redesign/specific_fns/relax_fit.py Tue May 29 17:31:07 2012
@@ -69,10 +69,13 @@
         # Set up the spin parameters.
         self.PARAMS.add('intensities', scope='spin', py_type=list, 
grace_string='\\qPeak intensities\\Q')
         self.PARAMS.add('relax_times', scope='spin', py_type=list, 
grace_string='\\qRelaxation time period (s)\\Q')
-        self.PARAMS.add('rx', scope='spin', default=8.0, desc='Either the R1 
or R2 relaxation rate', py_type=float, grace_string='\\qR\\sx\\Q', err=True, 
sim=True)
-        self.PARAMS.add('i0', scope='spin', default=10000.0, desc='The 
initial intensity', py_type=float, grace_string='\\qI\\s0\\Q', err=True, 
sim=True)
-        self.PARAMS.add('iinf', scope='spin', default=0.0, desc='The 
intensity at infinity', py_type=float, grace_string='\\qI\\sinf\\Q', 
err=True, sim=True)
+        self.PARAMS.add('rx', scope='spin', default=8.0, desc='Either the R1 
or R2 relaxation rate', set='params', py_type=float, 
grace_string='\\qR\\sx\\Q', err=True, sim=True)
+        self.PARAMS.add('i0', scope='spin', default=10000.0, desc='The 
initial intensity', py_type=float, set='params', grace_string='\\qI\\s0\\Q', 
err=True, sim=True)
+        self.PARAMS.add('iinf', scope='spin', default=0.0, desc='The 
intensity at infinity', py_type=float, set='params', 
grace_string='\\qI\\sinf\\Q', err=True, sim=True)
         self.PARAMS.add('params', scope='spin', desc='The model parameters', 
py_type=list)
+
+        # Add the minimisation data.
+        self.PARAMS.add_min_data(min_stats_global=False, min_stats_spin=True)
 
 
     def _assemble_param_vector(self, spin=None, sim_index=None):
@@ -558,7 +561,7 @@
         """
 
         # Loop over the data structure names.
-        for name in self.data_names():
+        for name in self.data_names(set='params'):
             # Data structures which are initially empty arrays.
             list_data = [ 'params' ]
             if name in list_data: