That makes sense. The *.agr files are currently checked in the Relax_disp system tests. Maybe to check that the *.out files are created, the test_r1rho_kjaergaard_auto_check_graphs() could be duplicated and renamed to test_r1rho_kjaergaard_auto_check_files()? Such a check is not so important though, as optimised values are checked in all the other tests.
Cheers, Edward On 19 August 2014 10:41, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > I deleted it, since I thought it was a clumsy ugly test. > > It only tests: > - > self.assert_(access(result_dir_name+sep+'resultsR1'+sep+'final'+sep+'phi_ex.out', > F_OK)) > - > self.assert_(access(result_dir_name+sep+'resultsR1'+sep+'final'+sep+'kex.out', > F_OK)) > - > self.assert_(access(result_dir_name+sep+'resultsR1'+sep+'final'+sep+'theta.out', > F_OK)) > > Which can be tested in the other tests. > > Best > Troels > > 2014-08-19 10:37 GMT+02:00 Edward d'Auvergne <[email protected]>: >> Hi Troels, >> >> Why was this test not necessary? Are all parts already tested in >> another test? It's always better to have too much test coverage than >> to have small gaps in the coverage. For the test suite, complete >> coverage of code paths is always preferable to the total speed of the >> test suite. Hence why the test suite takes so long to complete. But >> this is why relax is incredibly stable and relatively bug-free. >> >> Cheers, >> >> Edward >> >> >> >> On 13 August 2014 21:29, <[email protected]> wrote: >>> Author: tlinnet >>> Date: Wed Aug 13 21:29:57 2014 >>> New Revision: 25011 >>> >>> URL: http://svn.gna.org/viewcvs/relax?rev=25011&view=rev >>> Log: >>> Deleted systemtest test_r1rho_kjaergaard_man, since it was no necessary. >>> >>> sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation >>> rate for the off-resonance R1rho relaxation dispersion models. >>> >>> Modified: >>> branches/R1_fitting/test_suite/system_tests/relax_disp.py >>> >>> Modified: branches/R1_fitting/test_suite/system_tests/relax_disp.py >>> URL: >>> http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/system_tests/relax_disp.py?rev=25011&r1=25010&r2=25011&view=diff >>> ============================================================================== >>> --- branches/R1_fitting/test_suite/system_tests/relax_disp.py (original) >>> +++ branches/R1_fitting/test_suite/system_tests/relax_disp.py Wed Aug 13 >>> 21:29:57 2014 >>> @@ -5100,199 +5100,6 @@ >>> self.assertAlmostEqual(float(y_prod), >>> float(y_comp)) >>> >>> >>> - def test_r1rho_kjaergaard_man(self): >>> - """Optimisation of the Kjaergaard et al., 2013 Off-resonance R1rho >>> relaxation dispersion experiments using the 'DPL' model. >>> - >>> - This uses the data from Kjaergaard's paper at U{DOI: >>> 10.1021/bi4001062<http://dx.doi.org/10.1021/bi4001062>}. >>> - >>> - This uses the manual analysis. >>> - >>> - """ >>> - >>> - # Cluster residues >>> - cluster_ids = [ >>> - ":13@N", >>> - ":15@N", >>> - ":16@N", >>> - ":25@N", >>> - ":26@N", >>> - ":28@N", >>> - ":39@N", >>> - ":40@N", >>> - ":41@N", >>> - ":43@N", >>> - ":44@N", >>> - ":45@N", >>> - ":49@N", >>> - ":52@N", >>> - ":53@N"] >>> - >>> - >>> - # Load the data. >>> - self.setup_r1rho_kjaergaard(cluster_ids=cluster_ids) >>> - >>> - # The grid search size (the number of increments per dimension). >>> - GRID_INC = 4 >>> - >>> - # The number of Monte Carlo simulations to be used for error >>> analysis at the end of the analysis. >>> - MC_NUM = 3 >>> - >>> - # Execute the auto-analysis (fast). >>> - # Standard parameters are: func_tol = 1e-25, grad_tol = None, >>> max_iter = 10000000, >>> - OPT_FUNC_TOL = 1e-1 >>> - OPT_MAX_ITERATIONS = 1000 >>> - >>> - result_dir_name = ds.tmpdir >>> - >>> - # Make all spins free, and select a subset. >>> - for curspin in cluster_ids: >>> - self.interpreter.relax_disp.cluster('free spins', curspin) >>> - # Shut them down >>> - self.interpreter.deselect.spin(spin_id=curspin, >>> change_all=False) >>> - >>> - self.interpreter.select.spin(spin_id=':52@N', change_all=False) >>> - #self.interpreter.relax_disp.cluster('model_cluster', ':52@N') >>> - >>> - # Do the analysis manual >>> - self.interpreter.spectrum.error_analysis(subset=['46_0_35_0', >>> '48_0_35_4', '47_0_35_10', '49_0_35_20', '36_0_39_0', '39_0_39_4', >>> '37_0_39_10', '40_0_39_20', '38_0_39_40', '41_0_41_0', '44_0_41_4', >>> '42_0_41_10', '45_0_41_20', '43_0_41_40', '31_0_43_0', '34_0_43_4', >>> '32_0_43_10', '35_0_43_20', '33_0_43_40', '1_0_46_0', '4_0_46_4', >>> '2_0_46_10', '5_0_46_20', '3_0_46_40', '60_0_48_0', '63_0_48_4', >>> '61_0_48_10', '62_0_48_14', '64_0_48_20', '11_500_46_0', '14_500_46_4', >>> '12_500_46_10', '15_500_46_20', '13_500_46_40', '50_1000_41_0', >>> '53_1000_41_4', '51_1000_41_10', '54_1000_41_20', '52_1000_41_40', >>> '21_1000_46_0', '24_1000_46_4', '22_1000_46_10', '25_1000_46_20', >>> '23_1000_46_40', '65_1000_48_0', '68_1000_48_4', '66_1000_48_10', >>> '67_1000_48_14', '69_1000_48_20', '55_2000_41_0', '58_2000_41_4', >>> '56_2000_41_10', '59_2000_41_20', '57_2000_41_40', '6_2000_46_0', >>> '9_2000_46_4', '7_2000_46_10', '10_2000_46_20', '8_2000_46_40', >>> '16_5000_46_0', '19_5000_46_4', '17_5000_46_10', '20_5000_46_20', >>> '18_5000_46_40', '26_10000_46_0', '29_10000_46_4', '27_10000_46_10', >>> '30_10000_46_20', '28_10000_46_40']) >>> - >>> - ##- The 'R2eff' model - >>> - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to='R2eff - >>> relax_disp', bundle_to='relax_disp') >>> - self.interpreter.pipe.switch(pipe_name='R2eff - relax_disp') >>> - self.interpreter.relax_disp.select_model(model='R2eff') >>> - self.interpreter.minimise.grid_search(lower=None, upper=None, >>> inc=GRID_INC, constraints=True, verbosity=1) >>> - >>> - self.interpreter.minimise.execute(min_algor='simplex', >>> line_search=None, hessian_mod=None, hessian_type=None, >>> func_tol=OPT_FUNC_TOL, grad_tol=None, max_iter=OPT_MAX_ITERATIONS, >>> constraints=True, scaling=True, verbosity=1) >>> - self.interpreter.eliminate(function=None, args=None) >>> - self.interpreter.monte_carlo.setup(number=MC_NUM) >>> - self.interpreter.monte_carlo.create_data(method='back_calc') >>> - self.interpreter.monte_carlo.initial_values() >>> - >>> - self.interpreter.minimise.execute(min_algor='simplex', >>> line_search=None, hessian_mod=None, hessian_type=None, >>> func_tol=OPT_FUNC_TOL, grad_tol=None, max_iter=OPT_MAX_ITERATIONS, >>> constraints=True, scaling=True, verbosity=1) >>> - self.interpreter.eliminate(function=None, args=None) >>> - self.interpreter.monte_carlo.error_analysis() >>> - >>> - # Write results >>> - >>> #self.interpreter.relax_disp.plot_exp_curves(file='intensities.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', force=True, norm=False) >>> - >>> #self.interpreter.relax_disp.plot_exp_curves(file='intensities_norm.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', force=True, norm=True) >>> - >>> #self.interpreter.relax_disp.plot_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', >>> num_points=1000, extend=500.0, force=True) >>> - >>> #self.interpreter.relax_disp.write_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', >>> force=True) >>> - #self.interpreter.value.write(param='r2eff', file='r2eff.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', force=True, norm=False) >>> - #self.interpreter.value.write(param='i0', file='i0.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='i0', spin_id=None, plot_data='value', file='i0.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', force=True, norm=False) >>> - #self.interpreter.value.write(param='chi2', file='chi2.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='chi2', spin_id=None, plot_data='value', file='chi2.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', force=True, norm=False) >>> - >>> - ## Save results as state >>> - #self.interpreter.results.write(file='results', >>> dir=result_dir_name+sep+'resultsR1'+sep+'R2eff', compress_type=1, >>> force=True) >>> - >>> - ##- The 'No Rex' model - >>> - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to='No Rex >>> - relax_disp', bundle_to='relax_disp') >>> - self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp') >>> - self.interpreter.relax_disp.select_model(model='No Rex') >>> - self.interpreter.value.copy(pipe_from='R2eff - relax_disp', >>> pipe_to='No Rex - relax_disp', param='r2eff') >>> - self.interpreter.minimise.grid_search(lower=None, upper=None, >>> inc=GRID_INC, constraints=True, verbosity=1) >>> - >>> - self.interpreter.minimise.execute(min_algor='simplex', >>> line_search=None, hessian_mod=None, hessian_type=None, >>> func_tol=OPT_FUNC_TOL, grad_tol=None, max_iter=OPT_MAX_ITERATIONS, >>> constraints=True, scaling=True, verbosity=1) >>> - self.interpreter.eliminate(function=None, args=None) >>> - >>> - ## Write results >>> - >>> #self.interpreter.relax_disp.plot_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'No >>> Rex', num_points=1000, extend=500.0, force=True) >>> - >>> #self.interpreter.relax_disp.write_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'No >>> Rex', force=True) >>> - #self.interpreter.value.write(param='chi2', file='chi2.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'No Rex', scaling=1.0, >>> comment=None, bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='chi2', spin_id=None, plot_data='value', file='chi2.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'No Rex', force=True, norm=False) >>> - >>> - ## Save results as state >>> - self.interpreter.results.write(file='results', >>> dir=result_dir_name+sep+'resultsR1'+sep+'No Rex', compress_type=1, >>> force=True) >>> - >>> - ##- The 'DPL94' model - >>> - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to='DPL94 - >>> relax_disp', bundle_to='relax_disp') >>> - self.interpreter.pipe.switch(pipe_name='DPL94 - relax_disp') >>> - self.interpreter.relax_disp.select_model(model='DPL94') >>> - self.interpreter.value.copy(pipe_from='R2eff - relax_disp', >>> pipe_to='DPL94 - relax_disp', param='r2eff') >>> - self.interpreter.relax_disp.insignificance(level=1.0) >>> - self.interpreter.minimise.grid_search(lower=None, upper=None, >>> inc=GRID_INC, constraints=True, verbosity=1) >>> - >>> - self.interpreter.minimise.execute(min_algor='simplex', >>> line_search=None, hessian_mod=None, hessian_type=None, >>> func_tol=OPT_FUNC_TOL, grad_tol=None, max_iter=OPT_MAX_ITERATIONS, >>> constraints=True, scaling=True, verbosity=1) >>> - self.interpreter.eliminate(function=None, args=None) >>> - >>> - ## Write results >>> - >>> #self.interpreter.relax_disp.plot_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', >>> num_points=1000, extend=500.0, force=True) >>> - >>> #self.interpreter.relax_disp.write_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', >>> force=True) >>> - #self.interpreter.value.write(param='phi_ex', file='phi_ex.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='phi_ex', spin_id=None, plot_data='value', file='phi_ex.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', force=True, norm=False) >>> - #self.interpreter.value.write(param='k_AB', file='k_AB.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='kex', file='kex.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='tex', file='tex.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='k_AB', spin_id=None, plot_data='value', file='k_AB.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='kex', spin_id=None, plot_data='value', file='kex.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='tex', spin_id=None, plot_data='value', file='tex.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', force=True, norm=False) >>> - #self.interpreter.value.write(param='chi2', file='chi2.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='chi2', spin_id=None, plot_data='value', file='chi2.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', force=True, norm=False) >>> - >>> - ## Save results as state >>> - #self.interpreter.results.write(file='results', >>> dir=result_dir_name+sep+'resultsR1'+sep+'DPL94', compress_type=1, >>> force=True) >>> - >>> - ##- The 'final' model - >>> - self.interpreter.model_selection(method='AIC', modsel_pipe='final >>> - relax_disp', bundle='relax_disp', pipes=['No Rex - relax_disp', 'DPL94 - >>> relax_disp']) >>> - self.interpreter.monte_carlo.setup(number=MC_NUM) >>> - self.interpreter.monte_carlo.create_data(method='back_calc') >>> - self.interpreter.monte_carlo.initial_values() >>> - >>> - self.interpreter.minimise.execute(min_algor='simplex', >>> line_search=None, hessian_mod=None, hessian_type=None, >>> func_tol=OPT_FUNC_TOL, grad_tol=None, max_iter=OPT_MAX_ITERATIONS, >>> constraints=True, scaling=True, verbosity=1) >>> - self.interpreter.eliminate(function=None, args=None) >>> - self.interpreter.monte_carlo.error_analysis() >>> - >>> - ## Write results >>> - >>> #self.interpreter.relax_disp.plot_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'final', >>> num_points=1000, extend=500.0, force=True) >>> - >>> #self.interpreter.relax_disp.write_disp_curves(dir=result_dir_name+sep+'resultsR1'+sep+'final', >>> force=True) >>> - #self.interpreter.value.write(param='model', file='model.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='pA', file='pA.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='pB', file='pB.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='pA', spin_id=None, plot_data='value', file='pA.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='pB', spin_id=None, plot_data='value', file='pB.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - self.interpreter.value.write(param='phi_ex', file='phi_ex.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='phi_ex', spin_id=None, plot_data='value', file='phi_ex.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.value.write(param='phi_ex_B', >>> file='phi_ex_B.out', dir=result_dir_name+sep+'resultsR1'+sep+'final', >>> scaling=1.0, comment=None, bc=False, force=True) >>> - #self.interpreter.value.write(param='phi_ex_C', >>> file='phi_ex_C.out', dir=result_dir_name+sep+'resultsR1'+sep+'final', >>> scaling=1.0, comment=None, bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='phi_ex_B', spin_id=None, plot_data='value', >>> file='phi_ex_B.agr', dir=result_dir_name+sep+'resultsR1'+sep+'final', >>> force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='phi_ex_C', spin_id=None, plot_data='value', >>> file='phi_ex_C.agr', dir=result_dir_name+sep+'resultsR1'+sep+'final', >>> force=True, norm=False) >>> - #self.interpreter.value.write(param='dw', file='dw.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='dw', spin_id=None, plot_data='value', file='dw.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.value.write(param='dwH', file='dwH.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='dwH', spin_id=None, plot_data='value', file='dwH.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.value.write(param='k_AB', file='k_AB.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - self.interpreter.value.write(param='kex', file='kex.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='tex', file='tex.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='k_AB', spin_id=None, plot_data='value', file='k_AB.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='kex', spin_id=None, plot_data='value', file='kex.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='tex', spin_id=None, plot_data='value', file='tex.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.value.write(param='k_AB', file='k_AB.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='k_AB', spin_id=None, plot_data='value', file='k_AB.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.value.write(param='kB', file='kB.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='kC', file='kC.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='kB', spin_id=None, plot_data='value', file='kB.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='kC', spin_id=None, plot_data='value', file='kC.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - #self.interpreter.value.write(param='chi2', file='chi2.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.grace.write(x_data_type='res_num', >>> y_data_type='chi2', spin_id=None, plot_data='value', file='chi2.agr', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', force=True, norm=False) >>> - >>> - # Test of new parameters to write out. >>> - self.interpreter.value.write(param='theta', file='theta.out', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', scaling=1.0, comment=None, >>> bc=False, force=True) >>> - #self.interpreter.value.write(param='theta', file='theta.out', >>> dir='~', scaling=1.0, comment=None, bc=False, force=True) >>> - #self.assert_(hasattr(cdp.mol[0].res[7].spin[0], 'theta')) >>> - >>> - ## Save results as state >>> - #self.interpreter.results.write(file='results', >>> dir=result_dir_name+sep+'resultsR1'+sep+'final', compress_type=1, >>> force=True) >>> - ## Save all results in all pipes in state >>> - #self.interpreter.state.save(state='final_state', >>> dir=result_dir_name+sep+'resultsR1', compress_type=1, force=True) >>> - >>> - # Assert the file existence of the written value files >>> - >>> self.assert_(access(result_dir_name+sep+'resultsR1'+sep+'final'+sep+'phi_ex.out', >>> F_OK)) >>> - >>> self.assert_(access(result_dir_name+sep+'resultsR1'+sep+'final'+sep+'kex.out', >>> F_OK)) >>> - >>> self.assert_(access(result_dir_name+sep+'resultsR1'+sep+'final'+sep+'theta.out', >>> F_OK)) >>> - >>> - >>> def test_r1rho_kjaergaard_missing_r1(self): >>> """Optimisation of the Kjaergaard et al., 2013 Off-resonance R1rho >>> relaxation dispersion experiments using the 'DPL' model. >>> >>> >>> >>> _______________________________________________ >>> 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 >> >> _______________________________________________ >> relax (http://www.nmr-relax.com) >> >> This is the relax-devel 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-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
