[prev in list] [next in list] [prev in thread] [next in thread] 

List:       relax-commits
Subject:    r11515 - /1.3/prompt/rdc.py
From:       edward () domain ! hid
Date:       2010-08-15 11:19:07
Message-ID: E1OkbF5-00037N-4V () subversion ! gna ! org
[Download RAW message or body]

Author: bugman
Date: Sun Aug 15 13:19:06 2010
New Revision: 11515

URL: http://svn.gna.org/viewcvs/relax?rev=11515&view=rev
Log:
The negative gyromagnetic ratio correction flag neg_g_corr is now available in the \
rdc.read() user fn.


Modified:
    1.3/prompt/rdc.py

Modified: 1.3/prompt/rdc.py
URL: http://svn.gna.org/viewcvs/relax/1.3/prompt/rdc.py?rev=11515&r1=11514&r2=11515&view=diff
 ==============================================================================
--- 1.3/prompt/rdc.py (original)
+++ 1.3/prompt/rdc.py Sun Aug 15 13:19:06 2010
@@ -267,7 +267,7 @@
         rdc.display(align_id=align_id)
 
 
-    def read(self, align_id=None, file=None, dir=None, spin_id_col=None, \
mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, \
spin_name_col=None, data_col=None, error_col=None, sep=None, spin_id=None): +    def \
read(self, align_id=None, file=None, dir=None, spin_id_col=None, mol_name_col=None, \
res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, \
data_col=None, error_col=None, sep=None, spin_id=None, neg_g_corr=False):  """Read \
the RDC data from file.  
         Keyword Arguments
@@ -300,7 +300,9 @@
 
         spin_id:  The spin ID string to restrict the loading of data to certain spin \
subsets.  
-
+        neg_g_corr:  A flag which is used to correct for the negative gyromagnetic \
ratio of 15N. +        
+        
         Description
         ~~~~~~~~~~~
 
@@ -311,6 +313,9 @@
         in separate columns.  Note that the numbering of columns starts at one.  The \
                spin_id
         argument can be used to restrict the reading to certain spin types, for \
example only 15N  spins when only residue information is in the file.
+
+        If neg_g_corr is set to True, a sign inversion will be applied to all RDC \
values to be +        loaded.
 
 
         Examples
@@ -350,7 +355,8 @@
             text = text + ", data_col=" + repr(data_col)
             text = text + ", error_col=" + repr(error_col)
             text = text + ", sep=" + repr(sep)
-            text = text + ", spin_id=" + repr(spin_id) + ")"
+            text = text + ", spin_id=" + repr(spin_id)
+            text = text + ", neg_g_corr=" + repr(neg_g_corr) + ")"
             print(text)
 
         # The argument checks.
@@ -367,9 +373,10 @@
         arg_check.is_int(error_col, 'error column', can_be_none=True)
         arg_check.is_str(sep, 'column separator', can_be_none=True)
         arg_check.is_str(spin_id, 'spin ID string', can_be_none=True)
-
-        # Execute the functional code.
-        rdc.read(align_id=align_id, file=file, dir=dir, spin_id_col=spin_id_col, \
mol_name_col=mol_name_col, res_num_col=res_num_col, res_name_col=res_name_col, \
spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, \
error_col=error_col, sep=sep, spin_id=spin_id) +        arg_check.is_bool(neg_g_corr, \
'negative gyromagnetic ratio correction') +
+        # Execute the functional code.
+        rdc.read(align_id=align_id, file=file, dir=dir, spin_id_col=spin_id_col, \
mol_name_col=mol_name_col, res_num_col=res_num_col, res_name_col=res_name_col, \
spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, \
error_col=error_col, sep=sep, spin_id=spin_id, neg_g_corr=neg_g_corr)  
 
     def weight(self, align_id=None, spin_id=None, weight=1.0):


[prev in list] [next in list] [prev in thread] [next in thread]