r16851 - /branches/absolute_rdc/user_functions/rdc.py -- June 11, 2012 - 20:13

Author: bugman
Date: Mon Jun 11 20:13:41 2012
New Revision: 16851

URL: http://svn.gna.org/viewcvs/relax?rev=16851&view=rev
Log:
Added the 'absolute' keyword arg to the rdc.read user function definition.

This will be used to mark RDCs as being unsigned.


Modified:
    branches/absolute_rdc/user_functions/rdc.py

Modified: branches/absolute_rdc/user_functions/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/absolute_rdc/user_functions/rdc.py?rev=16851&r1=16850&r2=16851&view=diff
==============================================================================
--- branches/absolute_rdc/user_functions/rdc.py (original)
+++ branches/absolute_rdc/user_functions/rdc.py Mon Jun 11 20:13:41 2012
@@ -386,6 +386,13 @@
     desc_short = "negative gyromagnetic ratio correction",
     desc = "A flag which is used to correct for the negative gyromagnetic 
ratio of 15N."
 )
+uf.add_keyarg(
+    name = "absolute",
+    default = False,
+    py_type = "bool",
+    desc_short = "absolute RDCs",
+    desc = "A flag which indicates that the loaded RDCs are are signless."
+)
 # Description.
 uf.desc.append(Desc_container())
 uf.desc[-1].add_paragraph("This will read RDC data from a file and associate 
it with an alignment ID, either a new ID or a preexisting one with no RDC 
data.")
@@ -394,6 +401,7 @@
 uf.desc[-1].add_list_element("'2D' means that the splitting in the aligned 
sample was assumed to be J + 2D.")
 uf.desc[-1].add_paragraph("Internally, relax uses the D notation.  Therefore 
if set to '2D', the values will be doubled when read in.")
 uf.desc[-1].add_paragraph("If neg_g_corr is set to True, a sign inversion 
will be applied to all RDC values to be loaded.  This is sometimes needed for 
15N if the data is not compensated for the negative gyromagnetic ratio.")
+uf.desc[-1].add_paragraph("The absolute RDCs flag is used for RDCs in which 
the sign is unknown.  All absolute RDCs loaded will be converted to positive 
values.")
 uf.desc[-1].add_paragraph("The spin system can be identified in the file 
using two different formats.  The first is the spin ID string column which 
can include the molecule name, the residue name and number, and the spin name 
and number.  Alternatively the molecule name, residue number and name, and 
spin number and name columns can be supplied allowing this information to be 
in separate columns.  Note that the numbering of columns starts at one.  The 
spin ID can be used to restrict the reading to certain spin types, for 
example only 15N spins when only residue information is in the file.")
 # Prompt examples.
 uf.desc.append(Desc_container("Prompt examples"))