r26388 - /branches/frame_order_cleanup/auto_analyses/frame_order.py -- October 23, 2014 - 15:33

Author: bugman
Date: Thu Oct 23 15:32:59 2014
New Revision: 26388

URL: http://svn.gna.org/viewcvs/relax?rev=26388&view=rev
Log:
The data pipe containing a PCS subset is now optional in the frame order 
auto-analysis.

This is for systems which have so little data that a subset makes no sense.


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=26388&r1=26387&r2=26388&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py   (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py   Thu Oct 23 
15:32:59 2014
@@ -386,8 +386,8 @@
 
         @param data_pipe_full:          The name of the data pipe containing 
all of the RDC and PCS data.
         @type data_pipe_full:           str
-        @param data_pipe_subset:        The name of the data pipe containing 
all of the RDC data but only a small subset of ~5 PCS points.
-        @type data_pipe_subset:         str
+        @param data_pipe_subset:        The name of the data pipe containing 
all of the RDC data but only a small subset of ~5 PCS points.  This optional 
argument is used to massively speed up the analysis.
+        @type data_pipe_subset:         str or None
         @keyword pipe_bundle:           The data pipe bundle to associate 
all spawned data pipes with.
         @type pipe_bundle:              str
         @keyword results_dir:           The directory where files are saved 
in.
@@ -935,7 +935,10 @@
             # Otherwise use the base data pipes.
             else:
                 # Create the data pipe using the full data set, and switch 
to it.
-                self.interpreter.pipe.copy(self.data_pipe_subset, 
self.pipe_name_dict[model], bundle_to=self.pipe_bundle)
+                if self.data_pipe_subset != None:
+                    self.interpreter.pipe.copy(self.data_pipe_subset, 
self.pipe_name_dict[model], bundle_to=self.pipe_bundle)
+                else:
+                    self.interpreter.pipe.copy(self.data_pipe_full, 
self.pipe_name_dict[model], bundle_to=self.pipe_bundle)
                 self.interpreter.pipe.switch(self.pipe_name_dict[model])
 
                 # Select the Frame Order model.
@@ -1023,16 +1026,18 @@
             # Results directory stub for intermediate results.
             intermediate_stub = self.results_dir + sep + 
'intermediate_results' + sep + 'all_data'
 
-            # 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
+            # Operations if a subset was used, otherwise these are not 
needed.
+            if self.data_pipe_subset != None:
+                # 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