r27212 - /trunk/specific_analyses/relax_disp/api.py -- January 16, 2015 - 23:20

Author: tlinnet
Date: Fri Jan 16 23:20:11 2015
New Revision: 27212

URL: http://svn.gna.org/viewcvs/relax?rev=27212&view=rev
Log:
Implemented in the relaxation dispersion API, the function to return errors 
as the standard deviation of sums squared residuals.

Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, 
where errors are generated with width of standard deviation or residuals.

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=27212&r1=27211&r2=27212&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py   (original)
+++ trunk/specific_analyses/relax_disp/api.py   Fri Jan 16 23:20:11 2015
@@ -1034,6 +1034,31 @@
             return r2eff_err
 
         # Return the error list.
+        return errors
+
+
+    def return_error_sum_squares(self, data_id=None):
+        """Return the sum of squares standard deviation data structure.
+
+        @param data_id: The tuple of the spin container and the exponential 
curve identifying key, as yielded by the base_data_loop() generator method.
+        @type data_id:  SpinContainer instance and float
+        @return:        The sum of squares standard deviation data structure.
+        @rtype:         list of float
+        """
+
+        # Use same method as return_error() function.
+        errors = self.return_error(data_id=data_id)
+
+        # Replace if not the R2eff model.
+        if cdp.model_type != MODEL_R2EFF:
+            # Unpack the data.
+            spin, spin_id = data_id
+
+            # Replace values with the stored value.
+            for id in errors:
+                errors[id] = spin.sos_std
+
+        # Return the error list or dictionary.
         return errors