Author: bugman Date: Sun Nov 30 00:44:35 2014 New Revision: 26865 URL: http://svn.gna.org/viewcvs/relax?rev=26865&view=rev Log: Ported r15215 of Sébastien Morin's inversion-recovery branch.
The command used was: svn merge -r15214:r15215 svn+ssh://[email protected]/svn/relax/branches/inversion-recovery . ..... r15215 | semor | 2012-01-21 17:02:51 +0100 (Sat, 21 Jan 2012) | 7 lines Changed paths: M /branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py 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: trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py Modified: trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py?rev=26865&r1=26864&r2=26865&view=diff ============================================================================== --- trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py (original) +++ trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py Sun Nov 30 00:44:35 2014 @@ -52,20 +52,27 @@ 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]) # Deselect unresolved spins. deselect.read(file='unresolved', dir=data_path, res_num_col=1) @@ -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://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
