Author: bugman Date: Wed Nov 20 22:43:33 2013 New Revision: 21567 URL: http://svn.gna.org/viewcvs/relax?rev=21567&view=rev Log: Updated the Relax_disp.test_korzhnev_2005_15n_dq_data system test so it passes. The optimised values are very similar to that from cpmg_fit, so the code must be functioning correctly. 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=21567&r1=21566&r2=21567&view=diff ============================================================================== --- branches/relax_disp/test_suite/system_tests/relax_disp.py (original) +++ branches/relax_disp/test_suite/system_tests/relax_disp.py Wed Nov 20 22:43:33 2013 @@ -1459,11 +1459,11 @@ r20_key3 = generate_r20_key(exp_type=EXP_TYPE_CPMG_DQ, frq=800e6) # Set the initial parameter values. - spin.r2 = {r20_key1: 9.536959, r20_key2: 11.770254, r20_key3: 13.677903} - spin.pA = 0.965477 - spin.kex = 568.691 - spin.dw = 5.357119 - spin.dwH = -0.134035 + spin.r2 = {r20_key1: 9.48536931937482, r20_key2: 11.7316245262476, r20_key3: 13.6678889917841} + spin.pA = 0.963846627076083 + spin.kex = 538.31971271586 + spin.dw = 6.82617656048492 + spin.dwH = -0.112665530854285 # Low precision optimisation. self.interpreter.minimise(min_algor='simplex', func_tol=1e-05, max_iter=1000) @@ -1494,14 +1494,14 @@ print("%-20s %20.15g\n" % ("chi2", spin.chi2)) # Checks for residue :9. - self.assertAlmostEqual(spin.r2[r20_key1], 9.536959, 4) - self.assertAlmostEqual(spin.r2[r20_key2], 11.770254, 4) - self.assertAlmostEqual(spin.r2[r20_key3], 13.677903, 4) - self.assertAlmostEqual(spin.pA, 0.965477, 4) - self.assertAlmostEqual(spin.dw, 5.357119, 4) - self.assertAlmostEqual(spin.dwH, -0.134035, 4) - self.assertAlmostEqual(spin.kex/1000, 568.691/1000, 4) - self.assertAlmostEqual(spin.chi2, 9.23777, 4) + self.assertAlmostEqual(spin.r2[r20_key1], 9.48536931937482, 4) + self.assertAlmostEqual(spin.r2[r20_key2], 11.7316245262476, 4) + self.assertAlmostEqual(spin.r2[r20_key3], 13.6678889917841, 4) + self.assertAlmostEqual(spin.pA, 0.963846627076083, 4) + self.assertAlmostEqual(spin.dw, 6.82617656048492, 4) + self.assertAlmostEqual(spin.dwH, -0.112665530854285, 4) + self.assertAlmostEqual(spin.kex/1000, 538.31971271586/1000, 4) + self.assertAlmostEqual(spin.chi2, 9.79996901510001, 4) def test_korzhnev_2005_15n_mq_data(self):