Author: bugman Date: Fri Apr 5 12:37:38 2013 New Revision: 19384 URL: http://svn.gna.org/viewcvs/relax?rev=19384&view=rev Log: The Relax_disp.test_exp_fit system test now checks some of the final results. Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/relax_disp.py?rev=19384&r1=19383&r2=19384&view=diff ============================================================================== --- branches/relax_disp/test_suite/system_tests/relax_disp.py (original) +++ branches/relax_disp/test_suite/system_tests/relax_disp.py Fri Apr 5 12:37:38 2013 @@ -77,6 +77,25 @@ # Execute the script. self.interpreter.run(script_file=status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'exp_fit.py') + # Check the fitted parameters. + res_data = [ + [15., 10., 20000., 25000.], + [12., 11., 50000., 51000.], + [17., 9., 100000., 96000.] + ] + for i in range(len(res_data)): + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff[1000.0], res_data[i][0], places=2) + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff[2000.0], res_data[i][1], places=2) + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0[1000.0]/10000, res_data[i][2]/10000, places=3) + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0[2000.0]/10000, res_data[i][3]/10000, places=3) + + # Check the simulation errors. + for i in range(len(res_data)): + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff_err[1000.0], 1.0, places=1) + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff_err[2000.0], 1.0, places=1) + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0_err[1000.0]/10000, 1.0, places=1) + self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0_err[2000.0]/10000, 1.0, places=1) + def test_read_r2eff(self): """Test the reading of a file containing r2eff values."""