Author: bugman
Date: Wed Jan 12 14:17:11 2011
New Revision: 12232
URL: http://svn.gna.org/viewcvs/relax?rev=12232&view=rev
Log:
Improved the model-free system test value_test() method to handle all types
of model-free data.
This includes not checking certain values or statistic unless specifically
asked for.
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=12232&r1=12231&r2=12232&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Wed Jan 12 14:17:11 2011
@@ -540,7 +540,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -702,7 +702,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_cd_back_S2_0_970_te_2048_Rex_0_149(self):
@@ -771,7 +771,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_cd_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -912,7 +912,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_newton_gmw_back_S2_0_970_te_2048_Rex_0_149(self):
@@ -1054,7 +1054,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -1229,7 +1229,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_sd_back_S2_0_970_te_2048_Rex_0_149(self):
@@ -1298,7 +1298,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_constr_sd_mt_S2_0_970_te_2048_Rex_0_149(self):
@@ -1367,7 +1367,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_opt_grid_search_S2_0_970_te_2048_Rex_0_149(self):
@@ -1431,7 +1431,7 @@
# Test the values.
self.assertEqual(cdp.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)
+ self.value_test(spin, select=select, s2=s2, te=te, rex=rex,
chi2=chi2, iter=iter, f_count=f_count, g_count=g_count, h_count=h_count,
warning=warning)
def test_read_relax_data(self):
@@ -2051,32 +2051,82 @@
self.assertEqual(test_line, true_line)
- def value_test(self, spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning):
- """Method for testing the optimisation values.
-
- """
+ def value_test(self, spin, select=True, s2=None, s2f=None, s2s=None,
te=None, tf=None, ts=None, rex=None, chi2=None, iter=None, f_count=None,
g_count=None, h_count=None, warning=None):
+ """Test the optimisation values."""
# Get the debugging message.
mesg = self.mesg_opt_debug(spin)
# Convert to lists.
- if not isinstance(iter, list):
+ if iter != None and not isinstance(iter, list):
iter = [iter]
- if not isinstance(f_count, list):
+ if f_count != None and not isinstance(f_count, list):
f_count = [f_count]
- if not isinstance(g_count, list):
+ if g_count != None and not isinstance(g_count, list):
g_count = [g_count]
- if not isinstance(h_count, list):
+ if h_count != None and not isinstance(h_count, list):
h_count = [h_count]
# Test all the values.
+ ######################
+
+ # Spin selection.
self.assertEqual(spin.select, select, msg=mesg)
- self.assertAlmostEqual(spin.s2, s2, msg=mesg)
- self.assertAlmostEqual(spin.te / 1e-9, te / 1e3, msg=mesg)
- self.assertAlmostEqual(spin.rex * (2.0 * pi * spin.frq[0])**2, rex,
msg=mesg)
+
+ # S2 order parameter.
+ if s2 != None:
+ self.assertAlmostEqual(spin.s2, s2, msg=mesg)
+ else:
+ self.assertEqual(spin.s2, None, msg=mesg)
+
+ # S2f order parameter.
+ if s2f != None:
+ self.assertAlmostEqual(spin.s2f, s2f, msg=mesg)
+ else:
+ self.assertEqual(spin.s2f, None, msg=mesg)
+
+ # S2s order parameter.
+ if s2s != None:
+ self.assertAlmostEqual(spin.s2s, s2s, msg=mesg)
+ else:
+ self.assertEqual(spin.s2s, None, msg=mesg)
+
+ # te correlation time.
+ if te != None:
+ self.assertAlmostEqual(spin.te / 1e-9, te / 1e3, msg=mesg)
+ else:
+ self.assertEqual(spin.te, None, msg=mesg)
+
+ # tf correlation time.
+ if tf != None:
+ self.assertAlmostEqual(spin.tf / 1e-9, tf / 1e3, msg=mesg)
+ else:
+ self.assertEqual(spin.tf, None, msg=mesg)
+
+ # ts correlation time.
+ if ts != None:
+ self.assertAlmostEqual(spin.ts / 1e-9, ts / 1e3, msg=mesg)
+ else:
+ self.assertEqual(spin.ts, None, msg=mesg)
+
+ # Chemical exchange.
+ if rex != None:
+ self.assertAlmostEqual(spin.rex * (2.0 * pi * spin.frq[0])**2,
rex, msg=mesg)
+ else:
+ self.assertEqual(spin.rex, None, msg=mesg)
+
self.assertAlmostEqual(spin.chi2, chi2, msg=mesg)
- self.assert_(spin.iter in iter, msg=mesg)
- self.assert_(spin.f_count in f_count, msg=mesg)
- self.assert_(spin.g_count in g_count, msg=mesg)
- self.assert_(spin.h_count in h_count, msg=mesg)
- self.assertEqual(spin.warning, warning, msg=mesg)
+
+ # The optimisation stats.
+ if chi2 != None:
+ self.assertAlmostEqual(spin.chi2, chi2, msg=mesg)
+ if iter != None:
+ self.assert_(spin.iter in iter, msg=mesg)
+ if f_count != None:
+ self.assert_(spin.f_count in f_count, msg=mesg)
+ if g_count != None:
+ self.assert_(spin.g_count in g_count, msg=mesg)
+ if h_count != None:
+ self.assert_(spin.h_count in h_count, msg=mesg)
+ if warning != None:
+ self.assertEqual(spin.warning, warning, msg=mesg)
r12232 - /1.3/test_suite/system_tests/model_free.py