r27552 - /branches/frame_order_cleanup/user_functions/frame_order.py -- February 05, 2015 - 17:14

Author: bugman
Date: Thu Feb  5 17:14:40 2015
New Revision: 27552

URL: http://svn.gna.org/viewcvs/relax?rev=27552&view=rev
Log:
Fix for the frame_order.permute_axes user function description to allow the 
manual to be compiled.

The table caption containing the user function name was causing the LaTeX 
compilation to fail.
Therefore the captions have been rewritten to avoid the user function name.


Modified:
    branches/frame_order_cleanup/user_functions/frame_order.py

Modified: branches/frame_order_cleanup/user_functions/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/user_functions/frame_order.py?rev=27552&r1=27551&r2=27552&view=diff
==============================================================================
--- branches/frame_order_cleanup/user_functions/frame_order.py  (original)
+++ branches/frame_order_cleanup/user_functions/frame_order.py  Thu Feb  5 
17:14:40 2015
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2009-2014 Edward d'Auvergne                                  
 #
+# Copyright (C) 2009-2015 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -178,7 +178,7 @@
 uf.desc.append(Desc_container())
 uf.desc[-1].add_paragraph("The isotropic and pseudo-elliptic cone frame 
order models consist of multiple solutions as the optimisation space contains 
multiple local minima.  Because of the constraint cone_theta_x <= 
cone_theta_y in the pseudo-ellipse model, there are exactly three local 
minima (out of 6 possible permutations).  However the cone_theta_x == 
cone_theta_y condition of the isotropic cone collapses this to two minima.  
The multiple minima correspond to permutations of the motional system - the 
eigenframe x, y and z-axes as well as the cone opening angles cone_theta_x, 
cone_theta_y, and cone_sigma_max associated with these axes.  But as the 
mechanics of the cone angles is not identical to that of the torsion angle, 
only one of the three local minima is the global minimum.")
 uf.desc[-1].add_paragraph("When optimising the pseudo-elliptic models, 
specifically the '%s' and '%s' model, any of the three local minima can be 
found.  Convergence to the global minimum is not guaranteed.  Therefore this 
user function can be used to permute the motional system to jump from one 
local minimum to the other.  Optimisation will be required as the permuted 
parameters will not be exactly at the minimum." % (MODEL_PSEUDO_ELLIPSE, 
MODEL_PSEUDO_ELLIPSE_TORSIONLESS))
-table = uf_tables.add_table(label="table: frame_order.permute_axes 
combinations", caption="The motional eigenframe permutations for the 
frame_order.permute_axes user function.", caption_short="The permutations for 
the frame_order.permute_axes user function.")
+table = uf_tables.add_table(label="table: frame_order.permute_axes 
combinations", caption="The motional eigenframe axis permutations for the 
frame order models.", caption_short="The frame order axis permutations.")
 table.add_headings(["Condition", "Permutation name", "Cone angles", "Axes"])
 table.add_row(["x < y < z", "Self", "[x, y, z]", "[x, y, z]"])
 table.add_row(["         ", " A  ", "[x, z, y]", "[-z, y, x]"])