mailr11374 - /branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py


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Posted by michael . bieri on July 28, 2010 - 06:51:
Author: michaelbieri
Date: Wed Jul 28 06:51:48 2010
New Revision: 11374

URL: http://svn.gna.org/viewcvs/relax?rev=11374&view=rev
Log:
Spin id argument is introduced to hand over to relax.

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

Modified: branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py?rev=11374&r1=11373&r2=11374&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py Wed Jul 28 06:51:48 
2010
@@ -273,6 +273,9 @@
         # Hetero nucleus name.
         data.heteronuc = global_settings[2]
 
+        # Spin id og hetero nucleus
+        data.load_spin_ids = global_settings[2]
+
         # Proton name.
         data.proton = global_settings[3]
 
@@ -399,7 +402,7 @@
         data = self.assemble_data()
 
         # Execute.
-        Relax_fit(filename=self.filename, 
pipe_name='rx'+'_'+str(time.asctime(time.localtime())),seq_args=data.seq_args,
 results_directory=data.save_dir, file_names=data.file_names, 
relax_times=data.relax_times, int_method=data.int_method, mc_num=data.mc_num, 
pdb_file=data.structure_file, unresolved=data.unresolved, view_plots = False, 
heteronuc=data.heteronuc, proton=data.proton, inc=data.inc)
+        Relax_fit(filename=self.filename, 
pipe_name='rx'+'_'+str(time.asctime(time.localtime())),seq_args=data.seq_args,
 results_directory=data.save_dir, file_names=data.file_names, 
relax_times=data.relax_times, int_method=data.int_method, mc_num=data.mc_num, 
pdb_file=data.structure_file, unresolved=data.unresolved, view_plots = False, 
heteronuc=data.heteronuc, proton=data.proton, 
load_spin_ids=data.load_spin_ids, inc=data.inc)
         
         # Feedback about success.
         wx.CallAfter(self.gui.controller.log_panel.AppendText, 
'\n\n__________________________________________________________\n\nSuccessfully
 calculated Rx 
values\n__________________________________________________________')




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