Author: tlinnet Date: Fri Aug 22 14:48:21 2014 New Revision: 25217 URL: http://svn.gna.org/viewcvs/relax?rev=25217&view=rev Log: Fix to systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1()
After the relaxation times have been fixed, this model now return reasonable chi2 values. The reported parameters are though quite different from all other models, and it seems something may still be wrong. bug #22461(https://gna.org/bugs/?22461): NS R1rho 2-site_fit_r1 has extremely high chi2 value in systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1. Modified: trunk/test_suite/system_tests/relax_disp.py Modified: trunk/test_suite/system_tests/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=25217&r1=25216&r2=25217&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Fri Aug 22 14:48:21 2014 @@ -5645,7 +5645,7 @@ elif model == MODEL_MP05: self.assertAlmostEqual(value, 1.54354372) elif model == MODEL_NS_R1RHO_2SITE: - self.assertAlmostEqual(value, 1.54354372) + self.assertAlmostEqual(value, 1.41321968) elif param == 'r2': if model == MODEL_NOREX: @@ -5659,7 +5659,7 @@ elif model == MODEL_MP05: self.assertAlmostEqual(value, 9.72759220, 6) elif model == MODEL_NS_R1RHO_2SITE: - self.assertAlmostEqual(value, 9.72759220, 6) + self.assertAlmostEqual(value, 9.34602793, 6) # For all other parameters. else: @@ -5683,7 +5683,7 @@ elif model == MODEL_MP05: self.assertAlmostEqual(value, 0.88809321) elif model == MODEL_NS_R1RHO_2SITE: - self.assertAlmostEqual(value, 0.88809321) + self.assertAlmostEqual(value, 0.94496541) elif param == 'dw': if model == MODEL_TP02: @@ -5693,7 +5693,7 @@ elif model == MODEL_MP05: self.assertAlmostEqual(value, 1.08726706, 6) elif model == MODEL_NS_R1RHO_2SITE: - self.assertAlmostEqual(value, 1.08726706, 6) + self.assertAlmostEqual(value, 1.55833321, 6) elif param == 'kex': if model == MODEL_DPL94: @@ -5705,7 +5705,7 @@ elif model == MODEL_MP05: self.assertAlmostEqual(value, 4909.88110195, 3) elif model == MODEL_NS_R1RHO_2SITE: - self.assertAlmostEqual(value, 4909.88110195, 3) + self.assertAlmostEqual(value, 5610.20221435, 3) elif param == 'chi2': if model == MODEL_NOREX: @@ -5718,8 +5718,8 @@ self.assertAlmostEqual(value, 114.27987534) elif model == MODEL_MP05: self.assertAlmostEqual(value, 114.28002272) - #elif model == MODEL_NS_R1RHO_2SITE: - # self.assertAlmostEqual(value, 0.0) + elif model == MODEL_NS_R1RHO_2SITE: + self.assertAlmostEqual(value, 134.14368365) # Print the final pipe. _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] 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
