r7674 - /1.3/test_suite/system_tests/palmer.py -- October 12, 2008 - 19:35

Author: bugman
Date: Sun Oct 12 19:35:56 2008
New Revision: 7674

URL: http://svn.gna.org/viewcvs/relax?rev=7674&view=rev
Log:
Updated the checks of the test_palmer_omp() system test to be specific to 
that test.


Modified:
    1.3/test_suite/system_tests/palmer.py

Modified: 1.3/test_suite/system_tests/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/palmer.py?rev=7674&r1=7673&r2=7674&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/palmer.py (original)
+++ 1.3/test_suite/system_tests/palmer.py Sun Oct 12 19:35:56 2008
@@ -154,10 +154,10 @@
         models = ['m1', 'm2', 'm3']
         params = [['S2'], ['S2', 'te'], ['S2', 'Rex']]
         spin_names = [':-2&:Gly', ':-1&:Gly', ':0&:Gly']
-        s2 = [[0.869, 0.732, 0.802], [0.869, 0.730, 0.755], [0.715, 0.643, 
0.734]]
-        te = [[None, None, None], [0.0, 1.951, 1319.171], [None, None, None]]
-        rex = [[None, None, None], [None, None, None], [4.308, 4.278, 1.017]]
-        chi2 = [[36.6223, 20.3954, 5.2766], [36.6223, 20.3299, 0.0], 
[1.9763, 0.6307, 5.2766]]
+        s2 = [[0.822, 0.799, 0.823], [0.855, 0.777, 0.812], [0.822, 0.799, 
0.823]]
+        te = [[None, None, None], [420.873, 36.084, 20.043], [None, None, 
None]]
+        rex = [[None, None, None], [None, None, None], [0.0, 0.0, 0.0]]
+        chi2 = [[143.6773, 105.1767, 61.6684], [67.6796, 57.1562, 48.4927], 
[143.6773, 105.1767, 61.6684]]
         for model_index in xrange(3):
             print "Model " + `models[model_index]`
             for spin_index in xrange(3):
@@ -185,12 +185,11 @@
                 self.assertEqual(spin.chi2, chi2[model_index][spin_index])
 
         # Checks for the final mfout file reading.
-        models = ['m3', 'm3', 'm2']
-        params = [['S2', 'Rex'], ['S2', 'Rex'], ['S2', 'te']]
-        s2 = [0.844, 0.760, 0.592]
-        te = [None, None, 1809.287]
-        rex = [0.0, 0.394, None]
-        chi2 = [1.7964, 0.7391, 0.0000]
+        models = ['m2', 'm2', 'm2']
+        params = [['S2', 'te'], ['S2', 'te'], ['S2', 'te']]
+        s2 = [0.782, 0.760, 0.785]
+        te = [60.009, 29.134, 12.590]
+        chi2 = [24.0495, 8.1168, 0.5332]
         for spin_index in xrange(3):
             # Get the spin.
             spin = return_spin(spin_names[spin_index], pipe='aic')
@@ -198,8 +197,6 @@
             # Conversions.
             if te[spin_index]:
                 te[spin_index] = te[spin_index] * 1e-12
-            if rex[spin_index]:
-                rex[spin_index] = rex[spin_index] / (2.0 * pi * 
spin.frq[0])**2
 
             # Checks.
             self.assertEqual(spin.model, models[spin_index])
@@ -210,10 +207,13 @@
             self.assertEqual(spin.te, te[spin_index])
             self.assertEqual(spin.tf, None)
             self.assertEqual(spin.ts, None)
-            self.assertEqual(spin.rex, rex[spin_index])
+            self.assertEqual(spin.rex, None)
             self.assertEqual(spin.chi2, chi2[spin_index])
 
         # Final global values.
         final_pipe = pipes.get_pipe('aic')
-        self.assertEqual(final_pipe.chi2, 2.5355)
-        self.assertEqual(final_pipe.diff_tensor.tm, 12.050)
+        self.assertEqual(final_pipe.chi2, 32.6995)
+        self.assertEqual(final_pipe.diff_tensor.tm, 8.964)
+        self.assertEqual(final_pipe.diff_tensor.Dratio, 1.324)
+        self.assertEqual(final_pipe.diff_tensor.theta, -52.070)
+        self.assertEqual(final_pipe.diff_tensor.phi, 2.377)