mailRe: r11126 - /branches/bieri_gui/gui_bieri/analyses/auto_noe.py


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Posted by Edward d'Auvergne on April 27, 2010 - 20:01:
Hi,

Just a quick fix, the whitespacing is not correct here.  There should
be no ' ' characters around the '=' inside function/method/class
calls.  I.e. you should change ", proton = data.proton)" to ",
proton=data.proton)".

Cheers,

Edward


On 23 April 2010 04:02,  <michael.bieri@xxxxxxxxxxxxx> wrote:
Author: michaelbieri
Date: Fri Apr 23 04:02:43 2010
New Revision: 11126

URL: http://svn.gna.org/viewcvs/relax?rev=11126&view=rev
Log:
Label of hetero nucleus and proton is set for noe calculation.

Modified:
   branches/bieri_gui/gui_bieri/analyses/auto_noe.py

Modified: branches/bieri_gui/gui_bieri/analyses/auto_noe.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_noe.py?rev=11126&r1=11125&r2=11126&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_noe.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_noe.py Fri Apr 23 04:02:43 
2010
@@ -514,7 +514,7 @@
        data = self.assemble_data()

        # Execute.
-        NOE_calc(filename=data.filename, seq_args=data.seq_args, 
pipe_name='noe', noe_ref=data.ref_file, noe_ref_rmsd=data.ref_rmsd, 
noe_sat=data.sat_file, noe_sat_rmsd=data.sat_rmsd, 
unresolved=data.unresolved, pdb_file=data.structure_file, 
results_folder=data.save_dir, int_method='height', heteronuc = 'N', proton 
= 'H')
+        NOE_calc(filename=data.filename, seq_args=data.seq_args, 
pipe_name='noe', noe_ref=data.ref_file, noe_ref_rmsd=data.ref_rmsd, 
noe_sat=data.sat_file, noe_sat_rmsd=data.sat_rmsd, 
unresolved=data.unresolved, pdb_file=data.structure_file, 
results_folder=data.save_dir, int_method='height', heteronuc = 
data.heteronuc, proton = data.proton)

        # Feedback about success.
        wx.CallAfter(self.gui.controller.log_panel.AppendText, 
'\n\n__________________________________________________________\n\nSuccessfully
 calculated NOE 
values\n__________________________________________________________')


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