r5148 - /1.3/test_suite/system_tests/model_free.py -- March 22, 2008 - 18:53

Author: bugman
Date: Sat Mar 22 18:53:48 2008
New Revision: 5148

URL: http://svn.gna.org/viewcvs/relax?rev=5148&view=rev
Log:
Modified all the model-free optimisation system tests to check if the spins 
are properly selected.


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=5148&r1=5147&r2=5148&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Sat Mar 22 18:53:48 2008
@@ -156,6 +156,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.970)
         self.assertAlmostEqual(spin.te, 2048 * 1e-12)
         self.assertAlmostEqual(spin.rex, 0.149 / (2.0 * pi * spin.frq[0])**2)
@@ -194,6 +196,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.970)
         self.assertAlmostEqual(spin.te, 2048 * 1e-12)
         self.assertAlmostEqual(spin.rex, 0.149 / (2.0 * pi * spin.frq[0])**2)
@@ -232,6 +236,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.9097900390625)
         self.assertAlmostEqual(spin.te, 2.5000000000000001e-11)
         self.assertAlmostEqual(spin.rex, 1.24017333984375 / (2.0 * pi * 
spin.frq[0])**2)
@@ -270,6 +276,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 1.0)
         self.assertAlmostEqual(spin.te, 0.0)
         self.assertAlmostEqual(spin.rex, 0.0)
@@ -309,6 +317,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.970)
         self.assertAlmostEqual(spin.te, 2048 * 1e-12)
         self.assertAlmostEqual(spin.rex, 0.149 / (2.0 * pi * spin.frq[0])**2)
@@ -348,6 +358,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.970)
         self.assertAlmostEqual(spin.te, 2048 * 1e-12)
         self.assertAlmostEqual(spin.rex, 0.149 / (2.0 * pi * spin.frq[0])**2)
@@ -386,6 +398,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.91579220834688024)
         self.assertAlmostEqual(spin.te, 3.056865872253173e-13)
         self.assertAlmostEqual(spin.rex, 0.34008409798366124 / (2.0 * pi * 
spin.frq[0])**2)
@@ -424,6 +438,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 0.91619994957822126)
         self.assertAlmostEqual(spin.te, 1.2319687570987945e-13)
         self.assertAlmostEqual(spin.rex, 0.16249110942961512 / (2.0 * pi * 
spin.frq[0])**2)
@@ -457,6 +473,8 @@
         spin = 
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
 
         # Test the values.
+        
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
 0)
+        self.assertEqual(spin.select, 1)
         self.assertAlmostEqual(spin.s2, 1.0)
         self.assertAlmostEqual(spin.te, 0.0)
         self.assertAlmostEqual(spin.rex, 0.0)