r22454 - /trunk/specific_analyses/relax_disp/api.py -- March 12, 2014 - 10:32

Author: tlinnet
Date: Wed Mar 12 10:32:09 2014
New Revision: 22454

URL: http://svn.gna.org/viewcvs/relax?rev=22454&view=rev
Log:
Replaced API function in specific_analysis.relax_disp.api to calculate and 
return values for parameter theta() when this is requested.

Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs 
production for R1rho analysis with R2_eff as function of Omega_eff.

Implemented according to 
http://www.mail-archive.com/relax-devel@xxxxxxx/msg05082.html.

Modified:
    trunk/specific_analyses/relax_disp/api.py

Modified: trunk/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=22454&r1=22453&r2=22454&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py   (original)
+++ trunk/specific_analyses/relax_disp/api.py   Wed Mar 12 10:32:09 2014
@@ -72,7 +72,7 @@
         self.data_init = self._data_init_spin
         self.model_type = self._model_type_local
         self.return_conversion_factor = self._return_no_conversion_factor
-        self.return_value = self._return_value_general
+        self.return_value = self.return_value
         self.set_param_values = self._set_param_values_spin
 
         # Set up the spin parameters.
@@ -1409,6 +1409,38 @@
     set_doc.add_paragraph("Only three parameters can be set for either the 
slow- or the fast-exchange regime. For the slow-exchange regime, these 
parameters include the transversal relaxation rate for state A (R2A), the 
exchange rate from state A to state (k_AB) and the chemical shift difference 
between states A and B (dw). For the fast-exchange regime, these include the 
transversal relaxation rate (R2), the chemical exchange contribution to R2 
(Rex) and the exchange rate (kex). Setting parameters for a non selected 
model has no effect.")
 
 
+    def return_value(self, spin, param, sim=None, bc=False):
+        """Return the value and error corresponding to the parameter.
+
+        If sim is set to an integer, return the value of the simulation and 
None.
+
+
+        @param spin:    The SpinContainer object.
+        @type spin:     SpinContainer
+        @param param:   The name of the parameter to return values for.
+        @type param:    str
+        @keyword sim:   The Monte Carlo simulation index.
+        @type sim:      None or int
+        @keyword bc:    The back-calculated data flag.  If True, then the 
back-calculated data will be returned rather than the actual data.
+        @type bc:       bool
+        @return:        The value and error corresponding to
+        @rtype:         tuple of length 2 of floats or None
+        """
+
+        # Define list of special parameters.
+        special_parameters = ['theta']
+
+        # Use api_common function for paramets not defined in 
special_parameters.
+        if param not in special_parameters:
+            returnval = self._return_value_general(spin=spin, param=param, 
sim=sim, bc=bc)
+            return returnval
+
+        # If parameter in special_parameters, the do the following.
+        else:
+            returnval = self._return_value_general(spin=spin, param=param, 
sim=sim, bc=bc)
+            return returnval
+
+
     def set_error(self, model_info, index, error):
         """Set the parameter errors.