Author: bugman
Date: Mon Apr 14 14:46:40 2008
New Revision: 5674
URL: http://svn.gna.org/viewcvs/relax?rev=5674&view=rev
Log:
Converted all the remaining model-free optimisation system tests to use
value_test().
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=5674&r1=5673&r2=5674&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Mon Apr 14 14:46:40 2008
@@ -303,21 +303,21 @@
# Alias the relevent spin container.
spin =
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
- # Get the debugging message.
- mesg = self.mesg_opt_debug(spin)
-
- # Test the values.
-
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False, msg=mesg)
- self.assertEqual(spin.select, True, msg=mesg)
- self.assertAlmostEqual(spin.s2, 0.9097900390625, msg=mesg)
- self.assertAlmostEqual(spin.te, 2.5000000000000001e-11, msg=mesg)
- self.assertAlmostEqual(spin.rex, 1.24017333984375 / (2.0 * pi *
spin.frq[0])**2, msg=mesg)
- self.assertAlmostEqual(spin.chi2, 53.476155463267176, msg=mesg)
- self.assertEqual(spin.iter, 50, msg=mesg)
- self.assertEqual(spin.f_count, 131, msg=mesg)
- self.assertEqual(spin.g_count, 51, msg=mesg)
- self.assertEqual(spin.h_count, 0, msg=mesg)
- self.assertEqual(spin.warning, None or 'Maximum number of iterations
reached', msg=mesg)
+ # Optimisation values (from 32 bit Linux as the standard).
+ select = True
+ s2 = 0.9097900390625
+ te = 2.5000000000000001e-11
+ rex = 1.24017333984375 / (2.0 * pi * spin.frq[0])**2
+ chi2 = 53.476155463267176
+ iter = 50
+ f_count = 131
+ g_count = 51
+ h_count = 0
+ warning = 'Maximum number of iterations reached'
+
+ # Test the values.
+
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False)
+ self.value_test(spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning)
def test_opt_constr_cd_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -395,21 +395,21 @@
# Alias the relevent spin container.
spin =
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
- # Get the debugging message.
- mesg = self.mesg_opt_debug(spin)
-
- # Test the values.
-
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False, msg=mesg)
- self.assertEqual(spin.select, True, msg=mesg)
- self.assertAlmostEqual(spin.s2, 0.970, msg=mesg)
- self.assertAlmostEqual(spin.te, 2048 * 1e-12, msg=mesg)
- self.assertAlmostEqual(spin.rex, 0.149 / (2.0 * pi *
spin.frq[0])**2, msg=mesg)
- self.assertAlmostEqual(spin.chi2, 7.3040158179665562e-28, msg=mesg)
- self.assertEqual(spin.iter, 18, msg=mesg)
- self.assertEqual(spin.f_count, 55, msg=mesg)
- self.assertEqual(spin.g_count, 23, msg=mesg)
- self.assertEqual(spin.h_count, 18, msg=mesg)
- self.assertEqual(spin.warning, None, msg=mesg)
+ # Optimisation values (from 32 bit Linux as the standard).
+ select = True
+ s2 = 0.970
+ te = 2048 * 1e-12
+ rex = 0.149 / (2.0 * pi * spin.frq[0])**2
+ chi2 = 7.3040158179665562e-28
+ iter = 18
+ f_count = 55
+ g_count = 23
+ h_count = 18
+ warning = None
+
+ # Test the values.
+
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False)
+ self.value_test(spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning)
def test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -487,21 +487,21 @@
# Alias the relevent spin container.
spin =
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
- # Get the debugging message.
- mesg = self.mesg_opt_debug(spin)
-
- # Test the values.
-
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False, msg=mesg)
- self.assertEqual(spin.select, True, msg=mesg)
- self.assertAlmostEqual(spin.s2, 0.91579220834688024, msg=mesg)
- self.assertAlmostEqual(spin.te, 3.056865872253173e-13, msg=mesg)
- self.assertAlmostEqual(spin.rex, 0.34008409798366124 / (2.0 * pi *
spin.frq[0])**2, msg=mesg)
- self.assertAlmostEqual(spin.chi2, 68.321956795264342, msg=mesg)
- self.assertEqual(spin.iter, 50, msg=mesg)
- self.assertEqual(spin.f_count, 134, msg=mesg)
- self.assertEqual(spin.g_count, 51, msg=mesg)
- self.assertEqual(spin.h_count, 0, msg=mesg)
- self.assertEqual(spin.warning, None or 'Maximum number of iterations
reached', msg=mesg)
+ # Optimisation values (from 32 bit Linux as the standard).
+ select = True
+ s2 = 0.91579220834688024
+ te = 3.056865872253173e-13
+ rex = 0.34008409798366124 / (2.0 * pi * spin.frq[0])**2
+ chi2 = 68.321956795264342
+ iter = 50
+ f_count = 134
+ g_count = 51
+ h_count = 0
+ warning = 'Maximum number of iterations reached'
+
+ # Test the values.
+
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False)
+ self.value_test(spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning)
def test_opt_constr_sd_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -568,21 +568,21 @@
# Alias the relevent spin container.
spin =
relax_data_store[relax_data_store.current_pipe].mol[0].res[1].spin[0]
- # Get the debugging message.
- mesg = self.mesg_opt_debug(spin)
-
- # Test the values.
-
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False, msg=mesg)
- self.assertEqual(spin.select, True, msg=mesg)
- self.assertAlmostEqual(spin.s2, 1.0, msg=mesg)
- self.assertAlmostEqual(spin.te, 0.0, msg=mesg)
- self.assertAlmostEqual(spin.rex, 0.0, msg=mesg)
- self.assertAlmostEqual(spin.chi2, 3.9844117908982288, msg=mesg)
- self.assertEqual(spin.iter, 1331, msg=mesg)
- self.assertEqual(spin.f_count, 1331, msg=mesg)
- self.assertEqual(spin.g_count, 0, msg=mesg)
- self.assertEqual(spin.h_count, 0, msg=mesg)
- self.assertEqual(spin.warning, None, msg=mesg)
+ # Optimisation values (from 32 bit Linux as the standard).
+ select = True
+ s2 = 1.0
+ te = 0.0
+ rex = 0.0
+ chi2 = 3.9844117908982288
+ iter = 1331
+ f_count = 1331
+ g_count = 0
+ h_count = 0
+ warning = None
+
+ # Test the values.
+
self.assertEqual(relax_data_store[relax_data_store.current_pipe].mol[0].res[0].spin[0].select,
False)
+ self.value_test(spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning)
def test_read_relax_data(self):
r5674 - /1.3/test_suite/system_tests/model_free.py