r26639 - in /trunk: pipe_control/align_tensor.py user_functions/align_tensor.py -- November 19, 2014 - 19:04

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:")