Author: bugman
Date: Thu Sep 25 11:26:31 2014
New Revision: 26035
URL: http://svn.gna.org/viewcvs/relax?rev=26035&view=rev
Log:
Expanded the frame order auto-analysis documentation.
This adds a description for the summarise() and count_sobol_points() functions.
Modified:
branches/frame_order_cleanup/auto_analyses/frame_order.py
Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=26035&r1=26034&r2=26035&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py Thu Sep 25
11:26:31 2014
@@ -31,7 +31,12 @@
- Frame_order_analysis: This is a Python class which contains the
automated protocol. Initialising the class will execute the full analysis.
See its documentation for all the options it accepts.
- Optimisation_settings: This is a Python class which is used to set up
and store the optimisation settings used in the automated protocol. This
allows for grid searches, zooming grid searches, minimisation settings,
quasi-random Sobol' numerical integration of the PCS, and SciPy quadratic
numerical integration of the PCS to be specified.
-See the sample scripts for examples of how these are used.
+See the sample scripts for examples of how these are used. In addition, the
following two functions provide summaries of the analysis:
+
+ - count_sobol_points: This function will summarize the number of
quasi-random Sobol' points used in the PCS numeric integration. The table it
creates is very useful for judging the quality of the current optimisation
settings.
+ - summarise: This function will summarise all of the current frame order
results.
+
+Both these functions will be called at the end of the auto-analysis. However
they can also be used in simple scripts to summarise the results as an analysis
is progressing.
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