r11102 - /branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py -- April 22, 2010 - 05:28

Author: michaelbieri
Date: Thu Apr 22 05:28:11 2010
New Revision: 11102

URL: http://svn.gna.org/viewcvs/relax?rev=11102&view=rev
Log:
Global settings set up in relaxGUI is included in relax fit calculation.

Users are able to specify hetero nucleus and proton name.

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=11102&r1=11101&r2=11102&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_rx_base.py Thu Apr 22 05:28:11 
2010
@@ -267,9 +267,20 @@
         # The integration method.
         data.int_method = 'height'
 
+        # Import golbal settings.
+        global_settings = ds.relax_gui.global_setting
+
+        # Hetero nucleus name.
+        data.heteronuc = global_settings[2]
+
+        # Proton name.
+        data.proton = global_settings[3]
+
+        # Increment size.
+        data.inc = int(global_settings[4])
+
         # The number of Monte Carlo simulations to be used for error 
analysis at the end of the analysis.
-        data.mc_num = ds.relax_gui.global_setting
-        data.mc_num = int(data.mc_num[6])
+        data.mc_num = int(global_settings[6])
 
         # Unresolved resiudes
         file = DummyFileObject()
@@ -289,6 +300,9 @@
         # Results directory.
         data.save_dir = self.data.save_dir
 
+
+
+
         # Return the container.
         return data
 
@@ -388,7 +402,7 @@
         data = self.assemble_data()
 
         # Execute.
-        Relax_fit(filename = self.filename, seq_args=data.seq_args, 
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)
+        Relax_fit(filename=self.filename, seq_args=data.seq_args, 
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)
         
         # Feedback about success.
         wx.CallAfter(self.gui.controller.log_panel.AppendText, 
'\n\n__________________________________________________________\n\nSuccessfully
 calculated Rx 
values\n__________________________________________________________')