mailr13699 - /branches/gui_testing/gui/analyses/auto_noe.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on July 18, 2011 - 16:51:
Author: bugman
Date: Mon Jul 18 16:51:39 2011
New Revision: 13699

URL: http://svn.gna.org/viewcvs/relax?rev=13699&view=rev
Log:
The NOE_calc auto-analysis now only has a few args passed into it.

The auto-analyses will be redesigned to take a fully loaded data pipe as 
input.


Modified:
    branches/gui_testing/gui/analyses/auto_noe.py

Modified: branches/gui_testing/gui/analyses/auto_noe.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_noe.py?rev=13699&r1=13698&r2=13699&view=diff
==============================================================================
--- branches/gui_testing/gui/analyses/auto_noe.py (original)
+++ branches/gui_testing/gui/analyses/auto_noe.py Mon Jul 18 16:51:39 2011
@@ -140,6 +140,9 @@
         data = Container()
         missing = []
 
+        # The pipe name.
+        data.pipe_name = self.data.pipe_name
+
         # The frequency.
         frq = gui_to_str(self.field_nmr_frq.GetValue())
         if frq == None:
@@ -577,7 +580,7 @@
             sys.stderr = redir
 
         # Execute.
-        NOE_calc(seq_args=self.data.seq_args, pipe_name=self.data.pipe_name, 
unresolved=self.data.unresolved, pdb_file=self.data.structure_file, 
output_file=self.data.filename, results_dir=self.data.save_dir, 
int_method='height', heteronuc=self.data.heteronuc, proton=self.data.proton, 
heteronuc_pdb='@N')
+        NOE_calc(pipe_name=self.data.pipe_name, 
output_file=self.data.filename, results_dir=self.data.save_dir)
 
         # Alias the relax data store data.
         data = ds.relax_gui.analyses[self.data_index]




Related Messages


Powered by MHonArc, Updated Mon Jul 18 18:00:02 2011