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"
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