r14104 - /branches/gui_testing/gui/analyses/auto_model_free.py -- August 04, 2011 - 11:10

Author: bugman
Date: Thu Aug  4 11:10:22 2011
New Revision: 14104

URL: http://svn.gna.org/viewcvs/relax?rev=14104&view=rev
Log:
The dauvergne_protocol mode is extracted in the assemble_data method, and 
unit vectors are checked.


Modified:
    branches/gui_testing/gui/analyses/auto_model_free.py

Modified: branches/gui_testing/gui/analyses/auto_model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_model_free.py?rev=14104&r1=14103&r2=14104&view=diff
==============================================================================
--- branches/gui_testing/gui/analyses/auto_model_free.py (original)
+++ branches/gui_testing/gui/analyses/auto_model_free.py Thu Aug  4 11:10:22 
2011
@@ -350,6 +350,18 @@
         if hasattr(cdp, 'ri_ids') and len(cdp.ri_ids) <= 3:
             missing.append("Insufficient relaxation data, 4 or more data 
sets are essential for the execution of the dauvergne_protocol 
auto-analysis.")
 
+        # Get the mode.
+        mode = gui_to_str(self.mode.GetValue())
+
+        # Solve for all global models.
+        if mode == 'Fully automated':
+            # The global model list.
+            data.global_models = ['local_tm', 'sphere', 'prolate', 'oblate', 
'ellipsoid', 'final']
+
+        # Any global model selected.
+        else:
+            data.global_models = [mode]
+
         # Spin vars.
         for spin, spin_id in spin_loop(return_id=True):
             # Skip deselected spins.
@@ -375,6 +387,10 @@
             if not hasattr(spin, 'proton_type') or spin.proton_type == None:
                 missing.append(msg % "proton type data")
 
+            # Test if the unit vectors have been loaded.
+            if not hasattr(spin, 'unit_vect') or spin.unit_vect == None:
+                missing.append(msg % "unit vectors")
+
         # Return the container and list of missing data.
         return data, missing
 
@@ -521,18 +537,6 @@
         if len(missing):
             Missing_data(missing)
             return
-
-        # Get the mode.
-        mode = gui_to_str(self.mode.GetValue())
-
-        # Solve for all global models.
-        if mode == 'Fully automated':
-            # The global model list.
-            data.global_models = ['local_tm', 'sphere', 'prolate', 'oblate', 
'ellipsoid', 'final']
-
-        # Any global model selected.
-        else:
-            data.global_models = [mode]
 
         # Display the relax controller.
         if status.show_gui: