Hi Edward. The systemtest is now implemented. I think this bug is related to: bug #21344 (https://gna.org/bugs/?21344): Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths. The output of the systemtest gives: ------------ Fitting to spin :2@N, frequency 499862140.0 and dispersion point 50.0 --------------------------------------------------------------------- Unconstrained grid search size: 9 (constraints may decrease this size). Traceback (most recent call last): File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/test_suite/system_tests/relax_disp.py", line 281, in test_bug_21665_cpmg_two_fields_two_delaytimes_fail relax_disp.Relax_disp(pipe_name="compare_128_FT_R2eff", pipe_bundle="cpmg_disp_sod1d90a", results_dir=self.tmpdir, models=['R2eff'], grid_inc=3, mc_sim_num=5, modsel='AIC', pre_run_dir=None, insignificance=1.0, numeric_only=False, mc_sim_all_models=False, eliminate=True) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/auto_analyses/relax_disp.py", line 116, in __init__ self.run() File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/auto_analyses/relax_disp.py", line 451, in run self.optimise(model=model) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/auto_analyses/relax_disp.py", line 350, in optimise self.interpreter.grid_search(inc=self.grid_inc) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/prompt/uf_objects.py", line 221, in __call__ self._backend(*new_args, **uf_kargs) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/pipe_control/minimise.py", line 152, in grid_search grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, verbosity=verbosity) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/api.py", line 1093, in grid_search self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, constraints=constraints, verbosity=verbosity, sim_index=sim_index) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/api.py", line 1142, in minimise self._minimise_r2eff(min_algor=min_algor, min_options=min_options, func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations, constraints=constraints, scaling=scaling, verbosity=verbosity, sim_index=sim_index, lower=lower, upper=upper, inc=inc) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/api.py", line 382, in _minimise_r2eff values.append(average_intensity(spin=spin, exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, sim_index=sim_index)) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/disp_data.py", line 114, in average_intensity int_keys = find_intensity_keys(exp_type=exp_type, frq=frq, offset=offset, point=point, time=time) File "/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/disp_data.py", line 347, in find_intensity_keys raise RelaxError("No intensity data could be found corresponding to the spectrometer frequency of %s MHz, dispersion point of %s and relaxation time of %s s." % (frq*1e-6, point, time)) RelaxError: RelaxError: No intensity data could be found corresponding to the spectrometer frequency of 499.86214 MHz, dispersion point of 50.0 and relaxation time of 0.06 s. ----------------------------- This is true. For the relaxation time of 0.06 s, there is no dispersion point of 50.0. Best Troels 2014-02-18 12:19 GMT+01:00 <tlinnet@xxxxxxxxxxxxx>:
Author: tlinnet Date: Tue Feb 18 12:19:41 2014 New Revision: 22198 URL: http://svn.gna.org/viewcvs/relax?rev=22198&view=rev Log: Added systemtest to catch bug: relax -s Relax_disp.test_bug_21665_cpmg_two_fields_two_delaytimes_fail Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times. 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=22198&r1=22197&r2=22198&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Tue Feb 18 12:19:41 2014 @@ -264,6 +264,21 @@ relax_disp.Relax_disp.opt_max_iterations = 1000 relax_disp.Relax_disp(pipe_name="origin - relax_disp (Thu Jan 2 13:46:44 2014)", pipe_bundle="relax_disp (Thu Jan 2 13:46:44 2014)", results_dir=self.tmpdir, models=['R2eff', 'No Rex', 'CR72', 'NS CPMG 2-site expanded'], grid_inc=3, mc_sim_num=5, modsel='AIC', pre_run_dir=None, insignificance=1.0, numeric_only=False, mc_sim_all_models=False, eliminate=True) + + def test_bug_21665_cpmg_two_fields_two_delaytimes_fail(self): + """U{Bug #21665<https://gna.org/bugs/?21665>} catch, the failure due to a a CPMG analysis recorded at two fields at two delay times.""" + + # Clear the data store. + self.interpreter.reset() + + # Load the state. + state = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'bug_21665.bz2' + self.interpreter.state.load(state, force=True) + + # Execute the auto-analysis (fast). + relax_disp.Relax_disp.opt_func_tol = 1e-5 + relax_disp.Relax_disp.opt_max_iterations = 1000 + relax_disp.Relax_disp(pipe_name="compare_128_FT_R2eff", pipe_bundle="cpmg_disp_sod1d90a", results_dir=self.tmpdir, models=['R2eff'], grid_inc=3, mc_sim_num=5, modsel='AIC', pre_run_dir=None, insignificance=1.0, numeric_only=False, mc_sim_all_models=False, eliminate=True) def test_curve_type_cpmg_fixed_time(self): _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@xxxxxxx 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