r15325 - in /branches/frame_order_testing/test_suite/system_tests: frame_order.py scripts/frame_order/cam/base_script.py -- February 08, 2012 - 15:18

Author: bugman
Date: Wed Feb  8 15:18:34 2012
New Revision: 15325

URL: http://svn.gna.org/viewcvs/relax?rev=15325&view=rev
Log:
Improvements and clean ups for the frame order system tests.

A tearDown() method is now provided to clean up the relax state, and the 
flags are now all stored
in the status object rather than data store to allow states to be loaded.


Modified:
    branches/frame_order_testing/test_suite/system_tests/frame_order.py
    
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py

Modified: branches/frame_order_testing/test_suite/system_tests/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/frame_order.py?rev=15325&r1=15324&r2=15325&view=diff
==============================================================================
--- branches/frame_order_testing/test_suite/system_tests/frame_order.py 
(original)
+++ branches/frame_order_testing/test_suite/system_tests/frame_order.py Wed 
Feb  8 15:18:34 2012
@@ -83,13 +83,23 @@
     def setUp(self):
         """Set up for all the functional tests."""
 
-        # Create the data pipe.
-        self.interpreter.pipe.create('test', 'frame order')
-
         # The path to the CaM scripts.
         self.cam_path = status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'cam'+sep
 
 
+    def tearDown(self):
+        """Clean up after the tests."""
+
+        # Reset the relax data store.
+        self.interpreter.reset()
+
+        # Remove flags from the status object.
+        if hasattr(status, 'flag_rdc'):
+            del status.flag_rdc
+        if hasattr(status, 'flag_pcs'):
+            del status.flag_pcs
+
+
     def check_chi2(self, chi2=None, places=8):
         """Check the function evaluation."""
 
@@ -107,9 +117,9 @@
         """Set a number of flags for the scripts."""
 
         # Store the flags.
-        ds.flag_rdc = rdc
-        ds.flag_pcs = pcs
-        ds.flag_opt = opt
+        status.flag_rdc = rdc
+        status.flag_pcs = pcs
+        status.flag_opt = opt
 
 
     def mesg_opt_debug(self):

Modified: 
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py?rev=15325&r1=15324&r2=15325&view=diff
==============================================================================
--- 
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py
 (original)
+++ 
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py
 Wed Feb  8 15:18:34 2012
@@ -54,15 +54,11 @@
 
         # Pre-created set up.
         if self.load_state:
-            # Reset the data store.
-            self.interpreter.reset()
-
-            # Load the save file.
-            self.interpreter.state.load('frame_order', dir=self.data_path)
+            self.setup_state()
 
         # New set up.
         else:
-            self.setup()
+            self.setup_full()
 
         # Optimise.
         self.optimisation()
@@ -118,7 +114,7 @@
         print("\nchi2: %s" % cdp.chi2)
 
         # Optimise.
-        if hasattr(ds, 'flag_opt') and ds.flag_opt:
+        if hasattr(status, 'flag_opt') and status.flag_opt:
             self.interpreter.grid_search(inc=11)
             self.interpreter.minimise('simplex', constraints=False)
 
@@ -167,8 +163,8 @@
         self.interpreter.frame_order.domain_to_pdb(domain='C', 
pdb='1J7P_1st_NH_rot.pdb')
 
 
-    def setup(self):
-        """Optimise the frame order model."""
+    def setup_full(self):
+        """Set up the frame order model data from scratch."""
 
         # Create the data pipe.
         self.interpreter.pipe.create(pipe_name='frame order', 
pipe_type='frame order')
@@ -193,11 +189,11 @@
         ln = ['dy', 'tb', 'tm', 'er']
         for i in range(len(ln)):
             # Load the RDCs.
-            if not hasattr(ds, 'flag_rdc') or ds.flag_rdc:
+            if not hasattr(status, 'flag_rdc') or status.flag_rdc:
                 self.interpreter.rdc.read(align_id=ln[i], 
file='rdc_%s.txt'%ln[i], dir=self.data_path, res_num_col=2, spin_name_col=5, 
data_col=6, error_col=7)
 
             # The PCS.
-            if not hasattr(ds, 'flag_pcs') or ds.flag_pcs:
+            if not hasattr(status, 'flag_pcs') or status.flag_pcs:
                 self.interpreter.pcs.read(align_id=ln[i], 
file='pcs_%s.txt'%ln[i], dir=self.data_path, res_num_col=2, spin_name_col=5, 
data_col=6, error_col=7)
 
             # The temperature and field strength.
@@ -237,6 +233,19 @@
 
         # Set the paramagnetic centre.
         self.interpreter.paramag.centre(pos=[35.934, 12.194, -4.206])
+
+
+    def setup_state(self):
+        """Set up the frame order model data from a saved state."""
+
+        # Load the save file.
+        self.interpreter.state.load('frame_order', dir=self.data_path)
+
+        # Delete the RDC and PCS data as needed.
+        if hasattr(status, 'flag_rdc') and not status.flag_rdc:
+            self.interpreter.rdc.delete()
+        if hasattr(status, 'flag_pcs') and not status.flag_pcs:
+            self.interpreter.pcs.delete()
 
 
     def transform(self):