r26092 - /branches/frame_order_cleanup/auto_analyses/frame_order.py -- September 27, 2014 - 17:41

Author: bugman
Date: Sat Sep 27 17:41:49 2014
New Revision: 26092

URL: http://svn.gna.org/viewcvs/relax?rev=26092&view=rev
Log:
Possible fixes for the frame order auto-analysis.

This is just in case a user decides to not perform the optimisation starting 
with a PCS subset.  In
this case, the analysis will now execute correctly.


Modified:
    branches/frame_order_cleanup/auto_analyses/frame_order.py

Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=26092&r1=26091&r2=26092&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py   (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py   Sat Sep 27 
17:41:49 2014
@@ -942,23 +942,23 @@
                     # Perform the optimisation.
                     
self.interpreter.minimise.execute(min_algor=opt.get_min_algor(i), 
func_tol=opt.get_min_func_tol(i), max_iter=opt.get_min_max_iter(i))
 
-                # Copy the PCS data.
-                self.interpreter.pcs.copy(pipe_from=self.data_pipe_full, 
pipe_to=self.pipe_name_dict[model])
-
-                # Reset the selection status.
-                for spin, spin_id in spin_loop(return_id=True, 
skip_desel=False):
-                    # Get the spin from the original pipe.
-                    spin_orig = return_spin(spin_id=spin_id, 
pipe=self.data_pipe_full)
-
-                    # Reset the spin selection.
-                    spin.select = spin_orig.select
+            # Printout.
+            subsubtitle(file=sys.stdout, text="Optimisation using the full 
data set")
+
+            # Copy the PCS data.
+            self.interpreter.pcs.copy(pipe_from=self.data_pipe_full, 
pipe_to=self.pipe_name_dict[model])
+
+            # Reset the selection status.
+            for spin, spin_id in spin_loop(return_id=True, skip_desel=False):
+                # Get the spin from the original pipe.
+                spin_orig = return_spin(spin_id=spin_id, 
pipe=self.data_pipe_full)
+
+                # Reset the spin selection.
+                spin.select = spin_orig.select
 
             # Optimisation using the full data set.
             opt = self.opt_full
             if opt != None:
-                # Printout.
-                subsubtitle(file=sys.stdout, text="Optimisation using the 
full data set")
-
                 for i in opt.loop_min():
                     # The numerical optimisation settings.
                     
self.interpreter.frame_order.quad_int(opt.get_min_quad_int(i))