r26035 - /branches/frame_order_cleanup/auto_analyses/frame_order.py -- September 25, 2014 - 11:26

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.