r26612 - /trunk/user_functions/align_tensor.py -- November 18, 2014 - 13:46

Author: bugman
Date: Tue Nov 18 13:46:26 2014
New Revision: 26612

URL: http://svn.gna.org/viewcvs/relax?rev=26612&view=rev
Log:
Improvements to the description of the align_tensor.matrix_angles user 
function.


Modified:
    trunk/user_functions/align_tensor.py

Modified: trunk/user_functions/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/align_tensor.py?rev=26612&r1=26611&r2=26612&view=diff
==============================================================================
--- trunk/user_functions/align_tensor.py        (original)
+++ trunk/user_functions/align_tensor.py        Tue Nov 18 13:46:26 2014
@@ -322,10 +322,10 @@
 )
 # Description.
 uf.desc.append(Desc_container())
-uf.desc[-1].add_paragraph("This will calculate the angles between all loaded 
alignment tensors for the current data pipe.  Depending upon the basis set, 
the matrices are first converted to a 5D vector form and then then angles are 
calculated.  The angles are dependent upon the basis set:")
-uf.desc[-1].add_item_list_element("0", "The basis set {Sxx, Syy, Sxy, Sxz, 
Syz},")
-uf.desc[-1].add_item_list_element("1", "The basis set {Szz, Sxxyy, Sxy, Sxz, 
Syz} of the Pales standard notation,")
-uf.desc[-1].add_item_list_element("2", "The full matrix angle via the 
Euclidean inner product of the alignment matrices together with the Frobenius 
norm ||A||_F.")
+uf.desc[-1].add_paragraph("This will calculate the inter-matrix angles 
between all loaded alignment tensors for the current data pipe.  For the 5D 
basis sets, the matrices are first converted to a 5D vector form and then 
then the inter-vector angles, rather than inter-matrix angles, are 
calculated.  The angles are dependent upon the basis set:")
+uf.desc[-1].add_item_list_element("0", "The unitary 5D basis set {Sxx, Syy, 
Sxy, Sxz, Syz}.")
+uf.desc[-1].add_item_list_element("1", "The geometric 5D basis set {Szz, 
Sxxyy, Sxy, Sxz, Syz}.  This is also the Pales standard notation.")
+uf.desc[-1].add_item_list_element("2", "The standard inter-matrix angle.  
This is the default option.  The angle is calculated via the Euclidean inner 
product of the alignment matrices in rank-2, 3D form divided by the Frobenius 
norm ||A||_F of the matrices.")
 uf.desc[-1].add_paragraph("The full matrix angle via the Euclidean inner 
product is defined as:")
 uf.desc[-1].add_verbatim("""
                    /   <A1 , A2>   \ 
@@ -333,7 +333,7 @@
                    \ ||A1|| ||A2|| /
 """)
 uf.desc[-1].add_paragraph("where <a,b> is the Euclidean inner product and 
||a|| is the Frobenius norm of the matrix.")
-uf.desc[-1].add_paragraph("Note that the inner product solution is a linear 
map which hence preserves angles, whereas the {Sxx, Syy, Sxy, Sxz, Syz} and 
{Szz, Sxxyy, Sxy, Sxz, Syz} basis sets are non-linear maps which do not 
preserve angles.  Therefore the angles from all three basis sets will be 
different.")
+uf.desc[-1].add_paragraph("The inner product solution is a linear map and 
thereby preserves angles, whereas the {Sxx, Syy, Sxy, Sxz, Syz} and {Szz, 
Sxxyy, Sxy, Sxz, Syz} basis sets are non-linear maps which do not preserve 
angles.  Therefore the angles from all three basis sets will be different.")
 uf.backend = align_tensor.matrix_angles
 uf.menu_text = "&matrix_angles"
 uf.gui_icon = "oxygen.categories.applications-education"