Hi Troels,
Is there a need to call the return_error() method? This will not work
for the R2eff model where a list is returned - so you may need to
catch that situation (see how it is done in
pipe_control.error_analysis.monte_carlo_create_data() where the method
is called). Otherwise the user will encounter IndexErrors rather than
RelaxImplementErrors. I'm not sure why the dispersion return_error()
method returns a list for the R2eff model and a dictionary for all
other models. It seems to work though.
Regards,
Edward
On 16 January 2015 at 23:20, <tlinnet@xxxxxxxxxxxxx> wrote:
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
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Re: r27212 - /trunk/specific_analyses/relax_disp/api.py