Author: bugman
Date: Wed Nov 19 19:04:35 2014
New Revision: 26639
URL: http://svn.gna.org/viewcvs/relax?rev=26639&view=rev
Log:
Added the precision argument to the align_tensor.matrix_angles user function.
This allows the number of decimal points for the singular values and condition
number to be
specified.
Modified:
trunk/pipe_control/align_tensor.py
trunk/user_functions/align_tensor.py
Modified: trunk/pipe_control/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/align_tensor.py?rev=26639&r1=26638&r2=26639&view=diff
==============================================================================
--- trunk/pipe_control/align_tensor.py (original)
+++ trunk/pipe_control/align_tensor.py Wed Nov 19 19:04:35 2014
@@ -1675,7 +1675,7 @@
raise RelaxNoTensorError('alignment', tensor)
-def svd(basis_set='irreducible 5D', tensors=None):
+def svd(basis_set='irreducible 5D', tensors=None, precision=1):
"""Calculate the singular values of all the loaded tensors.
The basis set can be set to one of:
@@ -1747,10 +1747,12 @@
The SVD values and condition number are dependant upon the basis set
chosen.
- @param basis_set: The basis set to use for the SVD. This can be one of
"irreducible 5D", "unitary 9D", "unitary 5D" or "geometric 5D".
+ @keyword basis_set: The basis set to use for the SVD. This can be one of
"irreducible 5D", "unitary 9D", "unitary 5D" or "geometric 5D".
@type basis_set: str
- @param tensors: The list of alignment tensor IDs to calculate
inter-matrix angles between. If None, all tensors will be used.
+ @keyword tensors: The list of alignment tensor IDs to calculate
inter-matrix angles between. If None, all tensors will be used.
@type tensors: None or list of str
+ @keyword precision: The precision of the printed out angles. The number
corresponds to the number of figures to print after the decimal point.
+ @type precision: int
"""
# Argument check.
@@ -1843,5 +1845,7 @@
sys.stdout.write("SVD for the geometric 5D vectors {Szz, Sxx-yy, Sxy,
Sxz, Syz}.\n")
sys.stdout.write("\nSingular values:\n")
for val in s:
- sys.stdout.write(" %.4e\n" % val)
- sys.stdout.write("\nCondition number: %.2f\n" % cdp.align_tensors.cond_num)
+ format = " %." + repr(precision) + "e\n"
+ sys.stdout.write(format % val)
+ format = "\nCondition number: %." + repr(precision) + "f\n"
+ sys.stdout.write(format % cdp.align_tensors.cond_num)
Modified: trunk/user_functions/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/align_tensor.py?rev=26639&r1=26638&r2=26639&view=diff
==============================================================================
--- trunk/user_functions/align_tensor.py (original)
+++ trunk/user_functions/align_tensor.py Wed Nov 19 19:04:35 2014
@@ -479,6 +479,15 @@
wiz_read_only = True,
can_be_none = True
)
+uf.add_keyarg(
+ name = "precision",
+ default = 4,
+ py_type = "int",
+ min = 1,
+ max = 100,
+ desc_short = "printout precision",
+ desc = "The precision of the printed out singular values and condition
numbers. The number corresponds to the number of figures to print after the
decimal point."
+)
# Description.
uf.desc.append(Desc_container())
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:")
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