Author: tlinnet Date: Wed May 21 17:43:47 2014 New Revision: 23310 URL: http://svn.gna.org/viewcvs/relax?rev=23310&view=rev Log: Modified system test Relax_disp.test_cpmg_synthetic_ns3d_to_cr72 to catch bug.
bug #22017: (https://gna.org/bugs/index.php?22017) LinAlgError, for all numerical CPMG models. Systemtest was renamed from test_cpmg_synthetic_cr72 to test_cpmg_synthetic_ns3d_to_cr72, to reflect which model create the data and which model fits the data. 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=23310&r1=23309&r2=23310&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Wed May 21 17:43:47 2014 @@ -955,17 +955,18 @@ relax_disp.Relax_disp(pipe_name='origin - relax_disp (Sun Feb 23 19:36:51 2014)', pipe_bundle='relax_disp (Sun Feb 23 19:36:51 2014)', results_dir=self.tmpdir, models=['R2eff', 'No Rex'], grid_inc=11, mc_sim_num=2, modsel='AIC', pre_run_dir=pre_run_dir, insignificance=1.0, numeric_only=True, mc_sim_all_models=False, eliminate=True) - def test_cpmg_synthetic_cr72(self): + def test_cpmg_synthetic_ns3d_to_cr72(self): """Test synthetic cpmg data. - This script will produce synthetic CPMG R2eff values according to the selected model, and the fit the selected model. + This script will produce synthetic CPMG R2eff values according to the NS CPMG 2-site 3D model, and the fit the data with CR72. """ # Reset. #self.interpreter.reset() ## Set Experiments. - model_create = 'CR72' + model_create = 'NS CPMG 2-site 3D' + #model_create = 'NS CPMG 2-site expanded' model_analyse = 'CR72' # Exp 1 sfrq_1 = 599.8908617*1E6 @@ -986,7 +987,7 @@ exps = [exp_1, exp_2] spins = [ - ['Ala', 1, 'N', {'r2': {r20_key_1:2, r20_key_2:2}, 'r2a': {r20_key_1:2, r20_key_2:2}, 'r2b': {r20_key_1:2, r20_key_2:2}, 'kex': 1000, 'pA': 0.99, 'dw': 2} ] + ['Ala', 1, 'N', {'r2': {r20_key_1:10., r20_key_2:10.}, 'r2a': {r20_key_1:10., r20_key_2:10.}, 'r2b': {r20_key_1:10., r20_key_2:10.}, 'kex': 1000., 'pA': 0.99, 'dw': 2.} ] ] # Collect the data to be used. @@ -1072,7 +1073,7 @@ print("###################################") ## Make test on R2. - self.assertAlmostEqual(set_r2_frq, min_r2_frq, 6) + self.assertAlmostEqual(set_r2_frq, min_r2_frq, 2) else: grid_val = grid_params[mo_param] min_val = min_params[mo_param] @@ -1084,7 +1085,12 @@ print("###################################") ## Make test on parameters. - self.assertAlmostEqual(set_val, min_val, 2) + if mo_param == 'dw': + self.assertAlmostEqual(set_val/10, min_val/10, 1) + elif mo_param == 'kex': + self.assertAlmostEqual(set_val/1000, min_val/1000, 1) + elif mo_param == 'pA': + self.assertAlmostEqual(set_val, min_val, 3) def test_cpmg_synthetic_cr72_full_noise_cluster(self): _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org 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
