mailr16401 - /branches/uf_redesign/specific_fns/n_state_model.py


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Posted by edward on May 22, 2012 - 18:02:
Author: bugman
Date: Tue May 22 18:02:35 2012
New Revision: 16401

URL: http://svn.gna.org/viewcvs/relax?rev=16401&view=rev
Log:
Updates to the N-state model specific code.

The default_value() and return_data_desc() methods are now defined, and the 
data_names() method
returns a few parameter names.


Modified:
    branches/uf_redesign/specific_fns/n_state_model.py

Modified: branches/uf_redesign/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/specific_fns/n_state_model.py?rev=16401&r1=16400&r2=16401&view=diff
==============================================================================
--- branches/uf_redesign/specific_fns/n_state_model.py (original)
+++ branches/uf_redesign/specific_fns/n_state_model.py Tue May 22 18:02:35 
2012
@@ -61,12 +61,20 @@
         """Initialise the class by placing API_common methods into the 
API."""
 
         # Place methods into the API.
+        self.default_value = self._default_value_spin
         self.model_loop = self._model_loop_single_global
         self.overfit_deselect = self._overfit_deselect_dummy
         self.return_conversion_factor = self._return_no_conversion_factor
+        self.return_data_desc = self._return_data_desc_spin
         self.set_selected_sim = self._set_selected_sim_global
         self.sim_return_selected = self._sim_return_selected_global
         self.test_grid_ops = self._test_grid_ops_general
+
+        # Set up the spin parameters.
+        self.SPIN_PARAMS.add('r', units='Angstrom', grace_string='Bond 
length')
+        self.SPIN_PARAMS.add('csa', units='ppm', grace_string='\\qCSA\\Q')
+        self.SPIN_PARAMS.add('heteronuc_type', default='15N')
+        self.SPIN_PARAMS.add('proton_type', default='1H')
 
 
     def _assemble_param_vector(self, sim_index=None):
@@ -1853,7 +1861,10 @@
 
         # Parameters.
         if set == 'all' or set == 'params':
-            pass
+            names.append('r')
+            names.append('csa')
+            names.append('heteronuc_type')
+            names.append('proton_type')
 
         # Minimisation statistics.
         if set == 'all' or set == 'min':




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