r11627 - /1.3/auto_analyses/dauvergne_protocol.py -- October 06, 2010 - 12:46

Author: bugman
Date: Wed Oct  6 12:46:39 2010
New Revision: 11627

URL: http://svn.gna.org/viewcvs/relax?rev=11627&view=rev
Log:
Added some checks to the dauvergne_protocol mf analysis for the required 
previously optimised results.


Modified:
    1.3/auto_analyses/dauvergne_protocol.py

Modified: 1.3/auto_analyses/dauvergne_protocol.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/auto_analyses/dauvergne_protocol.py?rev=11627&r1=11626&r2=11627&view=diff
==============================================================================
--- 1.3/auto_analyses/dauvergne_protocol.py (original)
+++ 1.3/auto_analyses/dauvergne_protocol.py Wed Oct  6 12:46:39 2010
@@ -274,6 +274,11 @@
         #############################
 
         elif self.diff_model == 'sphere' or self.diff_model == 'prolate' or 
self.diff_model == 'oblate' or self.diff_model == 'ellipsoid':
+            # No local_tm directory!
+            dir_list = listdir(getcwd())
+            if 'local_tm' not in dir_list:
+                raise RelaxError("The local_tm model must be optimised 
first.")
+
             # The initial round of optimisation - not zero if calculations 
were interrupted.
             self.start_round = self.determine_rnd(model=self.diff_model)
 
@@ -381,6 +386,12 @@
 
             # All the global diffusion models to be used in the model 
selection.
             self.pipes = ['local_tm', 'sphere', 'prolate', 'oblate', 
'ellipsoid']
+
+            # Missing optimised model.
+            dir_list = listdir(getcwd())
+            for name in self.pipes:
+                if name not in dir_list:
+                    raise RelaxError("The %s model must be optimised first." 
% name)
 
             # Create the local_tm data pipe.
             self.interpreter.pipe.create('local_tm', 'mf')