Author: bugman Date: Sat Jun 8 00:09:50 2013 New Revision: 19964 URL: http://svn.gna.org/viewcvs/relax?rev=19964&view=rev Log: Fixes for the Relax_disp.test_hansen_cpmg_data_auto_analysis system test. One of the models for one spin now optimises completely and the checks have all been loosened. 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=19964&r1=19963&r2=19964&view=diff ============================================================================== --- branches/relax_disp/test_suite/system_tests/relax_disp.py (original) +++ branches/relax_disp/test_suite/system_tests/relax_disp.py Sat Jun 8 00:09:50 2013 @@ -79,11 +79,11 @@ print("%-20s %20.15g %20.15g" % ("R2 (500 MHz)", spin70.r2[0], spin71.r2[0])) print("%-20s %20.15g %20.15g" % ("R2 (800 MHz)", spin70.r2[1], spin71.r2[1])) print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2)) - self.assertAlmostEqual(spin70.r2[0], 10.5629142394442) - self.assertAlmostEqual(spin70.r2[1], 16.1409349905868) - self.assertAlmostEqual(spin70.chi2, 3427.90718919761) - self.assertAlmostEqual(spin71.r2[0], 5.82997477464649) - self.assertAlmostEqual(spin71.chi2, 47.3567549607471) + self.assertAlmostEqual(spin70.r2[0], 10.5629142394442, 4) + self.assertAlmostEqual(spin70.r2[1], 16.1409349905868, 4) + self.assertAlmostEqual(spin70.chi2, 3427.90718919761, 4) + self.assertAlmostEqual(spin71.r2[0], 5.82997477464649, 4) + self.assertAlmostEqual(spin71.chi2, 47.3567549607471, 4) # The 'LM63' model checks. self.interpreter.pipe.switch(pipe_name='LM63') @@ -96,15 +96,15 @@ print("%-20s %20.15g %20.15g" % ("phi_ex", spin70.phi_ex, spin71.phi_ex)) print("%-20s %20.15g %20.15g" % ("kex", spin70.kex, spin71.kex)) print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2)) - self.assertAlmostEqual(spin70.r2[0], 6.8058772971170374) - self.assertAlmostEqual(spin70.r2[1], 6.6790611414921477) - self.assertAlmostEqual(spin70.phi_ex, 0.31009292384617337) - self.assertAlmostEqual(spin70.kex, 4763.36556651067) - self.assertAlmostEqual(spin70.chi2, 106.393365972649) - self.assertAlmostEqual(spin71.r2[0], 4.9264108615358406) - self.assertAlmostEqual(spin71.phi_ex, 0.059254616846279792) - self.assertAlmostEqual(spin71.kex, 2543.899105435682) - self.assertAlmostEqual(spin71.chi2, 1.4423991744690439) + self.assertAlmostEqual(spin70.r2[0], 6.8058772971170374, 4) + self.assertAlmostEqual(spin70.r2[1], 6.6790611414921477, 4) + self.assertAlmostEqual(spin70.phi_ex, 0.31009292384617337, 4) + self.assertAlmostEqual(spin70.kex/10000, 4763.36556651067/10000, 4) + self.assertAlmostEqual(spin70.chi2, 106.393365972649, 4) + self.assertAlmostEqual(spin71.r2[0], 4.9264108615358406, 4) + self.assertAlmostEqual(spin71.phi_ex, 0.059254616846279792, 4) + self.assertAlmostEqual(spin71.kex/10000, 2543.899105435682/10000, 4) + self.assertAlmostEqual(spin71.chi2, 1.4423991744690439, 4) # The 'CR72' model checks. These models have not reached the minima due to the low quality optimisation! self.interpreter.pipe.switch(pipe_name='CR72') @@ -118,17 +118,17 @@ print("%-20s %20.15g %20.15g" % ("dw", spin70.dw, spin71.dw)) print("%-20s %20.15g %20.15g" % ("kex", spin70.kex, spin71.kex)) print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2)) - self.assertAlmostEqual(spin70.r2[0], 10.5625290761539) - self.assertAlmostEqual(spin70.r2[1], 16.1408804186593) - self.assertAlmostEqual(spin70.pA, 0.587512770782345) - self.assertAlmostEqual(spin70.dw, 0.000556908300131011) - self.assertAlmostEqual(spin70.kex, 0.624981594503156) - self.assertAlmostEqual(spin70.chi2, 3427.90717111604) - self.assertAlmostEqual(spin71.r2[0], 0.00078659758278153) - self.assertAlmostEqual(spin71.pA, 0.500005828841827) - self.assertAlmostEqual(spin71.dw, 136.755811860699) - self.assertAlmostEqual(spin71.kex, 12.0981886228349) - self.assertAlmostEqual(spin71.chi2, 31.0673066254263) + self.assertAlmostEqual(spin70.r2[0], 7.01112738294041, 4) + self.assertAlmostEqual(spin70.r2[1], 9.46417684441124, 4) + self.assertAlmostEqual(spin70.pA, 0.98990282549866, 4) + self.assertAlmostEqual(spin70.dw, 5.57743944886792, 4) + self.assertAlmostEqual(spin70.kex/10000, 1765.89891435861/10000, 4) + self.assertAlmostEqual(spin70.chi2, 18.4500413147376, 4) + self.assertAlmostEqual(spin71.r2[0], 0.00078659758278153, 4) + self.assertAlmostEqual(spin71.pA, 0.500005828841827, 4) + self.assertAlmostEqual(spin71.dw, 136.755811860699, 4) + self.assertAlmostEqual(spin71.kex, 12.0981886228349, 4) + self.assertAlmostEqual(spin71.chi2, 31.0673066254263, 4) def test_hansen_cpmg_data_LM63(self):