r4444 - /branches/N_state_model/test_suite/system_tests/n_state_model.py -- January 07, 2008 - 17:51

Author: bugman
Date: Mon Jan  7 17:51:21 2008
New Revision: 4444

URL: http://svn.gna.org/viewcvs/relax?rev=4444&view=rev
Log:
Worked out how to execute a script for the system/functional tests!


Modified:
    branches/N_state_model/test_suite/system_tests/n_state_model.py

Modified: branches/N_state_model/test_suite/system_tests/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/system_tests/n_state_model.py?rev=4444&r1=4443&r2=4444&view=diff
==============================================================================
--- branches/N_state_model/test_suite/system_tests/n_state_model.py (original)
+++ branches/N_state_model/test_suite/system_tests/n_state_model.py Mon Jan  
7 17:51:21 2008
@@ -38,7 +38,7 @@
 
 
 
-    def test_5_conf_xz(self):
+    def test_5_state_xz(self):
         """A 5-state model in the xz-plane (no pivotting of alpha).
 
         The 5 states correspond to the Euler angles (z-y-z notation):
@@ -49,53 +49,8 @@
             State 5:    {0, -pi/4, 0}
         """
 
-        # Execute the script '5_state_xz.py'.
-        
self.relax.interpreter.script('test_suite/system_tests/scripts/5_state_xz.py')
+        # Place the script file name into self.relax.script_file.
+        self.relax.script_file = 
'test_suite/system_tests/scripts/5_state_xz.py'
 
-        return
-
-        # Create the data pipe.
-        self.relax.interpreter._Pipe.create('C domain', 'N-state')
-
-        # Load the C-terminal alignment tensors..
-        self.relax.interpreter._Align_tensor.init(tensor='chi1', 
params=(-1/2., -1/2.,  0.,   0.,     0.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi2', 
params=(-1/8., -7/8.,  0.,   0.,     0.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi3', 
params=(-1/8.,  1/16., 0.,   0.,    -15/16.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi4', 
params=(7/16., -7/8.,  0.,   9/16.,  0.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi5', 
params=(-1/2., -1/2.,  3/8., 0.,     0.))
-
-        # Calculate the singular values.
-        self.relax.interpreter._Align_tensor.svd(basis_set=0)
-        self.relax.interpreter._Align_tensor.svd(basis_set=1)
-
-        # Calculate the angles between the matrices.
-        self.relax.interpreter._Align_tensor.matrix_angles(basis_set=0)
-        self.relax.interpreter._Align_tensor.matrix_angles(basis_set=1)
-
-
-        # Create the data pipe.
-        self.relax.interpreter._Pipe.create('N domain', 'N-state')
-
-        # Load the N-terminal alignment tensors.
-        self.relax.interpreter._Align_tensor.init(tensor='chi1', 
params=(1/4.,   -1/2.,   0.,              3/4.,   0.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi2', 
params=(7/16.,  -7/8.,   0.,              9/16.,  0.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi3', 
params=(-1/32.,  1/16., -15/(16*sqrt(2)), 3/32., -15/(16*sqrt(2))))
-        self.relax.interpreter._Align_tensor.init(tensor='chi4', params=(1., 
    -7/8.,   0.,              0.,     0.))
-        self.relax.interpreter._Align_tensor.init(tensor='chi5', 
params=(1/4.,   -1/2.,   3/(8*sqrt(2)),   3/4.,  -3/(8*sqrt(2))))
-
-        # Calculate the singular values.
-        self.relax.interpreter._Align_tensor.svd(basis_set=0)
-        self.relax.interpreter._Align_tensor.svd(basis_set=1)
-
-        # Calculate the angles between the matrices.
-        self.relax.interpreter._Align_tensor.matrix_angles(basis_set=0)
-        self.relax.interpreter._Align_tensor.matrix_angles(basis_set=1)
-
-        # Grid search.
-        self.relax.interpreter._Minimisation.grid_search(inc=11)
-
-        # Minimise.
-        self.relax.interpreter._Minimisation.minimise('simplex')
-
-        # Finish.
-        #self.relax.interpreter._Results.write(file='devnull', force=1)
+        # Execute relax in script mode.
+        self.relax.interpreter.run()