r11156 - in /1.3/test_suite/system_tests: n_state_model.py scripts/n_state_model/lactose_n_state.py -- April 27, 2010 - 18:03

Author: bugman
Date: Tue Apr 27 18:03:40 2010
New Revision: 11156

URL: http://svn.gna.org/viewcvs/relax?rev=11156&view=rev
Log:
Forked the test_lactose_n_state() system test for both the 'population' and 
'fixed' models.

The 2 new system tests are test_lactose_n_state_fixed() and 
test_lactose_n_state_population().


Modified:
    1.3/test_suite/system_tests/n_state_model.py
    1.3/test_suite/system_tests/scripts/n_state_model/lactose_n_state.py

Modified: 1.3/test_suite/system_tests/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/n_state_model.py?rev=11156&r1=11155&r2=11156&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/n_state_model.py (original)
+++ 1.3/test_suite/system_tests/n_state_model.py Tue Apr 27 18:03:40 2010
@@ -220,8 +220,21 @@
         self.assertAlmostEqual(cdp.q_rdc, 0.078460000413257444)       # 
Pales (Q Saupe): 0.079
 
 
-    def test_lactose_n_state(self):
+    def test_lactose_n_state_fixed(self):
         """The 4-state model analysis of lactose using RDCs and PCSs."""
+
+        # The model.
+        ds.model = 'fixed'
+
+        # Execute the script.
+        self.interpreter.run(script_file=__main__.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'lactose_n_state.py')
+
+
+    def test_lactose_n_state_population(self):
+        """The 4-state model analysis of lactose using RDCs and PCSs."""
+
+        # The model.
+        ds.model = 'population'
 
         # Execute the script.
         self.interpreter.run(script_file=__main__.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'lactose_n_state.py')

Modified: 1.3/test_suite/system_tests/scripts/n_state_model/lactose_n_state.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/n_state_model/lactose_n_state.py?rev=11156&r1=11155&r2=11156&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/n_state_model/lactose_n_state.py 
(original)
+++ 1.3/test_suite/system_tests/scripts/n_state_model/lactose_n_state.py Tue 
Apr 27 18:03:40 2010
@@ -16,6 +16,10 @@
 
 # Create the data pipe.
 pipe.create('lactose', 'N-state')
+
+# The population model for free operation of this script.
+if not hasattr(ds, 'model'):
+    ds.model = 'population'
 
 # Load the structures.
 NUM_STR = 4
@@ -79,11 +83,12 @@
 pcs.centre(atom_id=':4@C1', pipe='tag')
 
 # Set up the model.
-n_state_model.select_model(model='population')
+n_state_model.select_model(model=ds.model)
 
 # Set to equal probabilities.
-for j in xrange(NUM_STR):
-    value.set(1.0/NUM_STR, 'p'+repr(j))
+if ds.model == 'population':
+    for j in xrange(NUM_STR):
+        value.set(1.0/NUM_STR, 'p'+repr(j))
 
 # Minimisation.
 minimise('bfgs', constraints=True, max_iter=5)