Author: semor
Date: Fri Jun 17 18:23:27 2011
New Revision: 13119
URL: http://svn.gna.org/viewcvs/relax?rev=13119&view=rev
Log:
Renamed the function for checking the curve fitting results.
Modified:
branches/inversion-recovery/test_suite/system_tests/relax_fit.py
Modified: branches/inversion-recovery/test_suite/system_tests/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/relax_fit.py?rev=13119&r1=13118&r2=13119&view=diff
==============================================================================
--- branches/inversion-recovery/test_suite/system_tests/relax_fit.py
(original)
+++ branches/inversion-recovery/test_suite/system_tests/relax_fit.py Fri Jun
17 18:23:27 2011
@@ -101,6 +101,47 @@
break
+ def check_curve_fitting_exp_3param_inv_neg(self):
+ """Check the results of the curve-fitting."""
+
+ # Data.
+ relax_times = [0.0176, 0.0176, 0.0352, 0.0704, 0.0704, 0.1056,
0.1584, 0.1584, 0.1936, 0.1936]
+ chi2 = [None, None, None, 3.1727215308183405, 5.9732236976178248,
17.633333237460601, 4.7413502242106036, 10.759950979457724, None, None, None,
6.5520255580798752]
+ rx = [None, None, None, 8.0814894819861891, 8.6478971007171523,
9.5710638143380482, 10.716551832690667, 11.143793929315777, None, None, None,
12.828753698718391]
+ i0 = [None, None, None, 1996050.9679873895, 2068490.9458262245,
1611556.5193290685, 1362887.2329727132, 1877670.5629299041, None, None, None,
897044.17270784755]
+
+ # Some checks.
+ self.assertEqual(cdp.curve_type, 'exp_2param_neg')
+ self.assertEqual(cdp.int_method, ds.int_type)
+ self.assertEqual(len(cdp.relax_times), 10)
+ cdp_relax_times = sorted(cdp.relax_times.values())
+ for i in range(10):
+ self.assertEqual(cdp_relax_times[i], relax_times[i])
+
+ # Check the errors.
+ for key in cdp.sigma_I:
+ self.assertEqual(cdp.sigma_I[key], 10142.707367087694)
+ self.assertEqual(cdp.var_I[key], 102874512.734375)
+
+ # Spin data check.
+ i = 0
+ for spin in spin_loop():
+ # No data present.
+ if chi2[i] == None:
+ self.assert_(not hasattr(spin, 'chi2'))
+
+ # Data present.
+ else:
+ self.assertAlmostEqual(spin.chi2, chi2[i])
+ self.assertAlmostEqual(spin.rx, rx[i])
+ self.assertAlmostEqual(spin.i0/1e6, i0[i]/1e6)
+
+ # Increment the spin index.
+ i = i + 1
+ if i>= 12:
+ break
+
+
def test_bug_12670_12679(self):
"""Test the relaxation curve fitting, replicating bug #12670 and bug
#12679."""
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-commits mailing list
relax-commits@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits