r10906 - /branches/bieri_gui/gui_bieri/analyses/auto_noe.py -- February 24, 2010 - 06:25

Author: michaelbieri
Date: Wed Feb 24 06:25:57 2010
New Revision: 10906

URL: http://svn.gna.org/viewcvs/relax?rev=10906&view=rev
Log:
Synchronisation of NOE data prior to relax execution is improved and adapted 
to NOE calculation.

There are still several issues that have to be considered, such as saving and 
synchronising unresolved residues and the structure file / sequence file.



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=10906&r1=10905&r2=10906&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_noe.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_noe.py Wed Feb 24 06:25:57 2010
@@ -616,7 +616,7 @@
 
 
     def sync_ds(self, upload=False):
-        """Synchronise the rx analysis frame and the relax data store, both 
ways.
+        """Synchronise the noe analysis frame and the relax data store, both 
ways.
 
         This method allows the frame information to be uploaded into the 
relax data store, or for the information in the relax data store to be 
downloaded by the frame.
 
@@ -636,17 +636,42 @@
         else:
             self.field_results_dir.SetValue(str(self.data.save_dir))
 
+
+
+        # THESE INFORMATIONS HAVE TO BE SAVED!!!!!!!!!!!!!
+
         # The structure file.
+        #if upload:
+        #    self.data.structure_file = str(self.field_structure.GetValue())
+        #else:
+        #    self.field_structure.SetValue(str(self.data.structure_file))
+
+        # Unresolved residues.
+        #if upload:
+        #    self.data.unresolved = str(self.field_unresolved.GetValue())
+        #else:
+        #    self.field_unresolved.SetValue(str(self.data.unresolved))
+
+        # Reference peak file.
         if upload:
-            self.data.structure_file = str(self.field_structure.GetValue())
+            self.data.ref_file = str(self.field_ref_noe.GetValue())
         else:
-            self.field_structure.SetValue(str(self.data.structure_file))
-
-        # Unresolved residues.
+            self.field_ref_noe.SetValue(str(self.data.ref_file))
+
+        # Reference rmsd.
         if upload:
-            self.data.unresolved = str(self.field_unresolved.GetValue())
+            self.data.ref_rmsd = str(self.field_ref_rmsd.GetValue())
         else:
-            self.field_unresolved.SetValue(str(self.data.unresolved))
-
-        # The peak lists and relaxation times.
-        self.peak_intensity.sync_ds(upload)
+            self.field_ref_rmsd.SetValue(str(self.data.ref_rmsd))
+
+        # Saturated peak file.
+        if upload:
+            self.data.sat_file = str(self.field_sat_noe.GetValue())
+        else:
+            self.field_sat_noe.SetValue(str(self.data.sat_file))
+
+        # Saturated rmsd.
+        if upload:
+            self.data.sat_rmsd = str(self.field_sat_rmsd.GetValue())
+        else:
+            self.field_sat_rmsd.SetValue(str(self.data.sat_rmsd))