Author: bugman
Date: Wed Nov 19 17:50:42 2014
New Revision: 26629
URL: http://svn.gna.org/viewcvs/relax?rev=26629&view=rev
Log:
Editing of the align_tensor.svd user function description.
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=26629&r1=26628&r2=26629&view=diff
==============================================================================
--- trunk/user_functions/align_tensor.py (original)
+++ trunk/user_functions/align_tensor.py Wed Nov 19 17:50:42 2014
@@ -462,11 +462,11 @@
)
# Description.
uf.desc.append(Desc_container())
-uf.desc[-1].add_paragraph("This will perform a singular value decomposition of
all tensors loaded for the current data pipe. The values are highly dependent
on the chosen basis set. This can be one of:")
-uf.desc[-1].add_item_list_element("'irreducible 5D'", "The irreducible 5D
basis set {A-2, A-1, A0, A1, A2}. This is a linear map, hence angles, singular
values, and condition numbers are preserved.")
-uf.desc[-1].add_item_list_element("'unitary 9D'", "The unitary 9D basis set
{Sxx, Sxy, Sxz, Syx, Syy, Syz, Szx, Szy, Szz}. This is a linear map, hence
angles, singular values, and condition numbers are preserved.")
-uf.desc[-1].add_item_list_element("'unitary 5D'", "The unitary 5D basis set
{Sxx, Syy, Sxy, Sxz, Syz}. This is a non-linear map, hence angles, singular
values, and condition numbers are not preserved.")
-uf.desc[-1].add_item_list_element("'geometric 5D'", "The geometric 5D basis
set {Szz, Sxxyy, Sxy, Sxz, Syz}. This is a non-linear map, hence angles,
singular values, and condition numbers are not preserved. This is also the
Pales standard notation.")
+uf.desc[-1].add_paragraph("This will perform a singular value decomposition
for all alignment tensors and calculate the condition number. The singular
values and condition number are dependent on the basis set - linear maps
produce identical results whereas non-linear maps result in different values.
The basis set can be one of:")
+uf.desc[-1].add_item_list_element("'irreducible 5D'", "The irreducible 5D
basis set {A-2, A-1, A0, A1, A2}. This is a linear map, hence angles, singular
values, and condition number are preserved.")
+uf.desc[-1].add_item_list_element("'unitary 9D'", "The unitary 9D basis set
{Sxx, Sxy, Sxz, Syx, Syy, Syz, Szx, Szy, Szz}. This is a linear map, hence
angles, singular values, and condition number are preserved.")
+uf.desc[-1].add_item_list_element("'unitary 5D'", "The unitary 5D basis set
{Sxx, Syy, Sxy, Sxz, Syz}. This is a non-linear map, hence angles, singular
values, and condition number are not preserved.")
+uf.desc[-1].add_item_list_element("'geometric 5D'", "The geometric 5D basis
set {Szz, Sxxyy, Sxy, Sxz, Syz}. This is a non-linear map, hence angles,
singular values, and condition number are not preserved. This is also the
Pales standard notation.")
uf.desc[-1].add_paragraph("If the selected basis set is the default of
'irreducible 5D', the matrix on which SVD will be performed will be:")
uf.desc[-1].add_verbatim("""\
| A-2(1) A-1(1) A0(1) A1(1) A2(1) |
_______________________________________________
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