r10899 - /branches/bieri_gui/gui_bieri/analyses/auto_noe.py -- February 24, 2010 - 06:04

Author: michaelbieri
Date: Wed Feb 24 06:04:55 2010
New Revision: 10899

URL: http://svn.gna.org/viewcvs/relax?rev=10899&view=rev
Log:
Function to assemble NOE data was added to auto_noe.py.


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=10899&r1=10898&r2=10899&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_noe.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_noe.py Wed Feb 24 06:04:55 2010
@@ -343,7 +343,7 @@
 
 
     def assemble_data(self):
-        """Assemble the data required for the Relax_fit class.
+         """Assemble the data required for the Auto_noe class.
 
         See the docstring for auto_analyses.relax_fit for details.  All data 
is taken from the relax data store, so data upload from the GUI to there must 
have been previously performed.
 
@@ -354,16 +354,19 @@
         # The data container.
         data = Container()
 
-        # The sequence data (file name, dir, mol_name_col, res_num_col, 
res_name_col, spin_num_col, spin_name_col, sep).  These are the arguments to 
the  sequence.read() user function, for more information please see the 
documentation for that function.
-        data.seq_args = ['fixme!', None, None, 2, 3, 4, 5, None]
-
-        # The file names and relaxation times.
-        for i in range(len(self.data.file_list)):
-            # Hit the end of the list.
-            if self.data.file_list[i] == '':
-                break
-        data.file_names = self.data.file_list[:i]
-        data.relax_times = self.data.relax_times[:i]
+        # Reference peak list and background noe.
+        data.ref_file = self.data.ref_file
+        data.ref_rmsd = int(self.data.ref_rmsd)
+
+        # Saturated peak list and background noe.
+        data.sat_file = self.data.sat_file
+        data.sat_rmsd = int(self.data.sat_rmsd)
+
+        # Results directory.
+        data.save_dir = self.data.save_dir
+
+        # Frequency
+        data.frq = int(self.field_nmr_frq.GetValue())
 
         # The integration method.
         data.int_method = 'height'