r20587 - /trunk/test_suite/system_tests/palmer.py -- August 14, 2013 - 15:49

Author: bugman
Date: Wed Aug 14 15:49:57 2013
New Revision: 20587

URL: http://svn.gna.org/viewcvs/relax?rev=20587&view=rev
Log:
Fixes for the Palmer.test_palmer_omp system test for Modelfree4 version 4.20 
gcc.

The gcc and pgf results were somehow switched!


Modified:
    trunk/test_suite/system_tests/palmer.py

Modified: trunk/test_suite/system_tests/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/palmer.py?rev=20587&r1=20586&r2=20587&view=diff
==============================================================================
--- trunk/test_suite/system_tests/palmer.py (original)
+++ trunk/test_suite/system_tests/palmer.py Wed Aug 14 15:49:57 2013
@@ -180,7 +180,7 @@
             raise RelaxError("You are using an old, buggy Modelfree4 
version!  You must upgrade to version 4.20 or later.")
 
         # Determine if the Gnu gcc or Portland C compiler version is being 
used.
-        if spin.te == 20.043*1e-12:
+        if spin.te == 6.1506e-11:
             compiler = 'gcc'    # Gnu gcc modelfree4 version.
         else:
             compiler = 'pgf'    # Portland C compiler modelfree4 version.
@@ -191,9 +191,9 @@
         spin_names = [':9@N', ':10@N', ':11@N']
         s2 = [[0.822, 0.799, 0.823], [0.788, 0.777, 0.812], [0.822, 0.799, 
0.823]]
         if compiler == 'gcc':
+            te = [[None, None, None], [61.506, 36.087, 20.039], [None, None, 
None]]
+        elif compiler == 'pgf':
             te = [[None, None, None], [61.506, 36.084, 20.043], [None, None, 
None]]
-        else:
-            te = [[None, None, None], [61.506, 36.087, 20.039], [None, None, 
None]]
         rex = [[None, None, None], [None, None, None], [0.0, 0.0, 0.0]]
         chi2 = [[143.6773, 105.1767, 61.6684], [40.9055, 57.1562, 48.4927], 
[143.6773, 105.1767, 61.6684]]
 
@@ -228,13 +228,13 @@
         models = ['m2', 'm2', 'm2']
         params = [['s2', 'te'], ['s2', 'te'], ['s2', 'te']]
         if compiler == 'gcc':
+            s2 = [0.755, 0.761, 0.787]
+            te = [52.197, 29.361, 12.677]
+            chi2 = [7.254, 8.0437, 0.5327]
+        elif compiler == 'pgf':
             s2 = [0.782, 0.760, 0.785]
             te = [60.009, 29.134, 12.590]
             chi2 = [24.0495, 8.1168, 0.5332]
-        else:
-            s2 = [0.755, 0.761, 0.787]
-            te = [52.197, 29.361, 12.677]
-            chi2 = [7.254, 8.0437, 0.5327]
 
         # Checks for the final mfout file reading.
         for spin_index in range(3):
@@ -260,14 +260,14 @@
         # Final global values.
         final_pipe = pipes.get_pipe('aic')
         if compiler == 'gcc':
+            self.assertEqual(final_pipe.chi2, 15.8304)
+            self.assertEqual(final_pipe.diff_tensor.tm, 8.443)
+            self.assertEqual(final_pipe.diff_tensor.Dratio, 1.053)
+            self.assertAlmostEqual(final_pipe.diff_tensor.theta, (68.592 / 
360.0) * 2.0 * pi)
+            self.assertAlmostEqual(final_pipe.diff_tensor.phi, (73.756 / 
360.0) * 2.0 * pi)
+        elif compiler == 'pgf':
             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 / 360.0) 
* 2.0 * pi + pi)
-            self.assertEqual(final_pipe.diff_tensor.phi, (2.377 / 360.0) * 
2.0 * pi)
-        else:
-            self.assertEqual(final_pipe.chi2, 15.8304)
-            self.assertEqual(final_pipe.diff_tensor.tm, 8.443)
-            self.assertEqual(final_pipe.diff_tensor.Dratio, 1.053)
-            self.assertEqual(final_pipe.diff_tensor.theta, (68.864 / 360.0) 
* 2.0 * pi)
-            self.assertEqual(final_pipe.diff_tensor.phi, (73.913 / 360.0) * 
2.0 * pi)
+            self.assertAlmostEqual(final_pipe.diff_tensor.theta, (-52.070 / 
360.0) * 2.0 * pi + pi)
+            self.assertAlmostEqual(final_pipe.diff_tensor.phi, (2.377 / 
360.0) * 2.0 * pi)