r4483 - in /1.3/test_suite/system_tests: model_free.py scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py -- January 08, 2008 - 14:47

Author: bugman
Date: Tue Jan  8 14:47:15 2008
New Revision: 4483

URL: http://svn.gna.org/viewcvs/relax?rev=4483&view=rev
Log:
Converted all of the opt_setup_S2_0_970_te_2048_Rex_0_149() set up function 
into its own script.


Added:
    
1.3/test_suite/system_tests/scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py
Modified:
    1.3/test_suite/system_tests/model_free.py

Modified: 1.3/test_suite/system_tests/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/model_free.py?rev=4483&r1=4482&r2=4483&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Tue Jan  8 14:47:15 2008
@@ -46,39 +46,6 @@
         relax_data_store.__reset__()
 
 
-    def opt_setup_S2_0_970_te_2048_Rex_0_149(self):
-        """Setup the data pipe for testing optimisation.
-
-        The data set is:
-            S2 = 0.970.
-            te = 2048 ps.
-            Rex = 0.149 s^-1.
-        """
-
-        # Path of the files.
-        path = sys.path[-1] + 
'/test_suite/system_tests/data/model_free/S2_0.970_te_2048_Rex_0.149'
-
-        # Load the sequence.
-        self.relax.interpreter._Sequence.read('noe.500.out', dir=path)
-
-        # Load the relaxation data.
-        self.relax.interpreter._Relax_data.read('R1', '600', 600.0 * 1e6, 
'r1.600.out', dir=path)
-        self.relax.interpreter._Relax_data.read('R2', '600', 600.0 * 1e6, 
'r2.600.out', dir=path)
-        self.relax.interpreter._Relax_data.read('NOE', '600', 600.0 * 1e6, 
'noe.600.out', dir=path)
-        self.relax.interpreter._Relax_data.read('R1', '500', 500.0 * 1e6, 
'r1.500.out', dir=path)
-        self.relax.interpreter._Relax_data.read('R2', '500', 500.0 * 1e6, 
'r2.500.out', dir=path)
-        self.relax.interpreter._Relax_data.read('NOE', '500', 500.0 * 1e6, 
'noe.500.out', dir=path)
-
-        # Setup other values.
-        self.relax.interpreter._Diffusion_tensor.init(10e-9, fixed=1)
-        self.relax.interpreter._Value.set(NH_BOND_LENGTH, 'bond_length')
-        self.relax.interpreter._Value.set(-160 * 1e-6, 'csa')
-        self.relax.interpreter._Value.set('N', 'nucleus')
-
-        # Select the model-free model.
-        self.relax.interpreter._Model_free.select_model(model='m4')
-
-
     def test_create_m4(self):
         """Creating model m4 with parameters {S2, te, Rex} using 
model_free.create_model()."""
 
@@ -98,7 +65,6 @@
 
         # Execute the script.
         
self.relax.interpreter.run(script_file='test_suite/system_tests/scripts/opendx_s2_te_rex.py')
-        raise NameError, "Hello"
 
 
     def test_opendx_theta_phi_da(self):

Added: 
1.3/test_suite/system_tests/scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py?rev=4483&view=auto
==============================================================================
--- 
1.3/test_suite/system_tests/scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py 
(added)
+++ 
1.3/test_suite/system_tests/scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py 
Tue Jan  8 14:47:15 2008
@@ -1,0 +1,34 @@
+"""Script for setting up the data pipe for testing optimisation.
+
+The data set is:
+    S2 = 0.970.
+    te = 2048 ps.
+    Rex = 0.149 s^-1.
+"""
+
+# Python module imports.
+import sys
+
+
+# Path of the files.
+path = sys.path[-1] + 
'/test_suite/system_tests/data/model_free/S2_0.970_te_2048_Rex_0.149'
+
+# Load the sequence.
+sequence.read('noe.500.out', dir=path)
+
+# Load the relaxation data.
+relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', dir=path)
+relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', dir=path)
+relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', dir=path)
+relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', dir=path)
+relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', dir=path)
+relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', dir=path)
+
+# Setup other values.
+diffusion_tensor.init(10e-9, fixed=1)
+value.set(1.02 * 1e-10, 'bond_length')
+value.set(-160 * 1e-6, 'csa')
+value.set('N', 'nucleus')
+
+# Select the model-free model.
+model_free.select_model(model='m4')