Hi Seb, The changes look fine. The data deletion test is not essential here as it is checked in the other system test, but it's ok to check it again.
Regards, Edward On 21 January 2012 17:02, <[email protected]> wrote: > Author: semor > Date: Sat Jan 21 17:02:51 2012 > New Revision: 15215 > > URL: http://svn.gna.org/viewcvs/relax?rev=15215&view=rev > Log: > Manually fix the script based on changes made during branch updating. > > This is as discussed by Edward d'Auvergne in a post at: > https://mail.gna.org/public/relax-devel/2012-01/msg00001.html > (Message-id: > <caed9py9pnjgs3omk2dtw76xa1hoqhx0+wud1gadzboau6f8...@mail.gmail.com>) > > > Modified: > > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py > > Modified: > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py > URL: > http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py?rev=15215&r1=15214&r2=15215&view=diff > ============================================================================== > --- > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py > (original) > +++ > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py > Sat Jan 21 17:02:51 2012 > @@ -55,20 +55,27 @@ > 2.45 > ] > > -# Loop over the spectra. > -for i in xrange(len(names)): > - # Load the peak intensities. > - spectrum.read_intensities(file=names[i]+'.list', dir=data_path, > spectrum_id=names[i], int_method=ds.int_type) > +# Load the data twice to test data deletion. > +for iter in range(2): > + # Loop over the spectra. > + for i in xrange(len(names)): > + # Load the peak intensities. > + spectrum.read_intensities(file=names[i]+'.list', dir=data_path, > spectrum_id=names[i], int_method=ds.int_type) > > - # Set the relaxation times. > - relax_fit.relax_time(time=times[i], spectrum_id=names[i]) > + # Set the relaxation times. > + relax_fit.relax_time(time=times[i], spectrum_id=names[i]) > > -# Specify the duplicated spectra. > -spectrum.replicated(spectrum_ids=['T1_inv-recov_750_ms', > 'T1_inv-recov_750_ms_bis']) > -spectrum.replicated(spectrum_ids=['T1_inv-recov_1950_ms', > 'T1_inv-recov_1950_ms_bis']) > + # Specify the duplicated spectra. > + spectrum.replicated(spectrum_ids=['T1_inv-recov_750_ms', > 'T1_inv-recov_750_ms_bis']) > + spectrum.replicated(spectrum_ids=['T1_inv-recov_1950_ms', > 'T1_inv-recov_1950_ms_bis']) > > -# Peak intensity error analysis. > -spectrum.error_analysis() > + # Peak intensity error analysis. > + spectrum.error_analysis() > + > + # Delete the data. > + if iter == 0: > + for i in range(len(names)): > + spectrum.delete(names[i]) > > # Set the relaxation curve type. > relax_fit.select_model('exp_3param_inv_neg') > @@ -96,8 +103,8 @@ > grace.write(y_data_type='chi2', file='devnull', force=True) # Minimised > chi-squared value. > grace.write(y_data_type='i0', file='devnull', force=True) # Initial peak > intensity. > grace.write(y_data_type='rx', file='devnull', force=True) # Relaxation > rate. > -grace.write(x_data_type='relax_times', y_data_type='int', file='devnull', > force=True) # Average peak intensities. > -grace.write(x_data_type='relax_times', y_data_type='int', norm=True, > file='devnull', force=True) # Average peak intensities (normalised). > +grace.write(x_data_type='relax_times', y_data_type='intensities', > file='devnull', force=True) # Average peak intensities. > +grace.write(x_data_type='relax_times', y_data_type='intensities', norm=True, > file='devnull', force=True) # Average peak intensities (normalised). > > # Save the program state. > state.save('devnull', force=True) > > > _______________________________________________ > relax (http://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://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
