mailr18862 - /branches/frame_order_testing/auto_analyses/frame_order.py


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Posted by edward on March 18, 2013 - 16:08:
Author: bugman
Date: Mon Mar 18 16:08:26 2013
New Revision: 18862

URL: http://svn.gna.org/viewcvs/relax?rev=18862&view=rev
Log:
The frame order auto-analysis 'results_dir' argument is now used by the 
auto-analysis.


Modified:
    branches/frame_order_testing/auto_analyses/frame_order.py

Modified: branches/frame_order_testing/auto_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/auto_analyses/frame_order.py?rev=18862&r1=18861&r2=18862&view=diff
==============================================================================
--- branches/frame_order_testing/auto_analyses/frame_order.py (original)
+++ branches/frame_order_testing/auto_analyses/frame_order.py Mon Mar 18 
16:08:26 2013
@@ -148,7 +148,7 @@
                 self.interpreter.monte_carlo.error_analysis()
 
                 # Finish.
-                self.interpreter.results.write(file='results', force=True)
+                self.interpreter.results.write(file='results', 
dir=self.results_dir+'final', force=True)
 
             # Visualisation of the final results.
             self.visualisation(model='final')
@@ -159,7 +159,7 @@
             status.exec_lock.release()
 
         # Save the final program state.
-        self.interpreter.state.save('final_state', force=True)
+        self.interpreter.state.save('final_state', dir=self.results_dir, 
force=True)
 
 
     def check_vars(self):
@@ -387,7 +387,7 @@
             self.interpreter.eliminate()
 
             # Save the results.
-            self.interpreter.results.write(dir=model, force=True)
+            self.interpreter.results.write(dir=self.results_dir+model, 
force=True)
 
             # The PDB representation of the model and visualisation script.
             self.visualisation(model=model)
@@ -413,7 +413,7 @@
         # The results file already exists, so read its contents instead.
         if self.read_results(model=model, 
pipe_name=self.pipe_name_dict[model]):
             # The PDB representation of the model (in case this was not 
completed correctly).
-            self.interpreter.frame_order.pdb_model(dir=model, force=True)
+            
self.interpreter.frame_order.pdb_model(dir=self.results_dir+model, force=True)
 
             # Nothing more to do.
             return
@@ -449,10 +449,10 @@
         self.print_results()
 
         # Save the results.
-        self.interpreter.results.write(dir=model, force=True)
+        self.interpreter.results.write(dir=self.results_dir+model, 
force=True)
 
         # The PDB representation of the model.
-        self.interpreter.frame_order.pdb_model(dir=model, force=True)
+        self.interpreter.frame_order.pdb_model(dir=self.results_dir+model, 
force=True)
 
 
     def print_results(self):
@@ -551,7 +551,7 @@
         """
 
         # The file name.
-        path = model + sep + 'results.bz2'
+        path = self.results_dir + model + sep + 'results.bz2'
 
         # The file does not exist.
         if not access(path, F_OK):
@@ -583,17 +583,14 @@
         if model != 'final' and model != cdp.model:
             raise RelaxError("The model '%s' does not match the model '%s' 
of the current data pipe." % (model, cdp.model))
 
-        # The directory to place files into.
-        results_dir = model
-
         # The PDB representation of the model.
-        self.interpreter.frame_order.pdb_model(dir=results_dir, force=True)
+        self.interpreter.frame_order.pdb_model(dir=self.results_dir+model, 
force=True)
 
         # Create the visualisation script.
-        script = open_write_file(file_name='pymol_display.py', 
dir=results_dir, force=True)
+        script = open_write_file(file_name='pymol_display.py', 
dir=self.results_dir+model, force=True)
 
         # Add a comment for the user.
-        script.write("# relax script for displaying the frame order results 
of this '%s' model in PyMOL.\n\n" % results_dir)
+        script.write("# relax script for displaying the frame order results 
of this '%s' model in PyMOL.\n\n" % model)
 
         # The script contents.
         script.write("# PyMOL visualisation.\n")




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