Author: bugman Date: Thu Oct 31 10:54:43 2013 New Revision: 21357 URL: http://svn.gna.org/viewcvs/relax?rev=21357&view=rev Log: Fixes for the Relax_disp.test_hansen_cpmg_data_auto_analysis_r2eff system test. This is for the changes in the relax_disp.r2eff_read user function. Modified: branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py Modified: branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py?rev=21357&r1=21356&r2=21357&view=diff ============================================================================== --- branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py (original) +++ branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py Thu Oct 31 10:54:43 2013 @@ -52,43 +52,53 @@ spin.name(name='N') spin.isotope(isotope='15N') -# The spectral data - R2eff file name, CPMG frequency (Hz), spectrometer frequency in Hertz. +# The spectral data - experiment ID, R2eff file name, CPMG frequency (Hz), spectrometer frequency in Hertz. data = [ - ['500_66.67.r2eff', 66.6666, 500e6], - ['500_133.33.r2eff', 133.3333, 500e6], - ['500_200.00.r2eff', 200.0000, 500e6], - ['500_266.67.r2eff', 266.6666, 500e6], - ['500_333.33.r2eff', 333.3333, 500e6], - ['500_400.00.r2eff', 400.0000, 500e6], - ['500_466.67.r2eff', 466.6666, 500e6], - ['500_533.33.r2eff', 533.3333, 500e6], - ['500_600.00.r2eff', 600.0000, 500e6], - ['500_666.67.r2eff', 666.6666, 500e6], - ['500_733.33.r2eff', 733.3333, 500e6], - ['500_800.00.r2eff', 800.0000, 500e6], - ['500_866.67.r2eff', 866.6666, 500e6], - ['500_933.33.r2eff', 933.3333, 500e6], - ['500_1000.00.r2eff', 1000.0000, 500e6], - ['800_66.67.r2eff', 66.6666, 800e6], - ['800_133.33.r2eff', 133.3333, 800e6], - ['800_200.00.r2eff', 200.0000, 800e6], - ['800_266.67.r2eff', 266.6666, 800e6], - ['800_333.33.r2eff', 333.3333, 800e6], - ['800_400.00.r2eff', 400.0000, 800e6], - ['800_466.67.r2eff', 466.6666, 800e6], - ['800_533.33.r2eff', 533.3333, 800e6], - ['800_600.00.r2eff', 600.0000, 800e6], - ['800_666.67.r2eff', 666.6666, 800e6], - ['800_733.33.r2eff', 733.3333, 800e6], - ['800_800.00.r2eff', 800.0000, 800e6], - ['800_866.67.r2eff', 866.6666, 800e6], - ['800_933.33.r2eff', 933.3333, 800e6], - ['800_1000.00.r2eff', 1000.0000, 800e6] + ['500_66.67', '500_66.67.r2eff', 66.6666, 500e6], + ['500_133.33', '500_133.33.r2eff', 133.3333, 500e6], + ['500_200.00', '500_200.00.r2eff', 200.0000, 500e6], + ['500_266.67', '500_266.67.r2eff', 266.6666, 500e6], + ['500_333.33', '500_333.33.r2eff', 333.3333, 500e6], + ['500_400.00', '500_400.00.r2eff', 400.0000, 500e6], + ['500_466.67', '500_466.67.r2eff', 466.6666, 500e6], + ['500_533.33', '500_533.33.r2eff', 533.3333, 500e6], + ['500_600.00', '500_600.00.r2eff', 600.0000, 500e6], + ['500_666.67', '500_666.67.r2eff', 666.6666, 500e6], + ['500_733.33', '500_733.33.r2eff', 733.3333, 500e6], + ['500_800.00', '500_800.00.r2eff', 800.0000, 500e6], + ['500_866.67', '500_866.67.r2eff', 866.6666, 500e6], + ['500_933.33', '500_933.33.r2eff', 933.3333, 500e6], + ['500_1000.00', '500_1000.00.r2eff', 1000.0000, 500e6], + ['800_66.67', '800_66.67.r2eff', 66.6666, 800e6], + ['800_133.33', '800_133.33.r2eff', 133.3333, 800e6], + ['800_200.00', '800_200.00.r2eff', 200.0000, 800e6], + ['800_266.67', '800_266.67.r2eff', 266.6666, 800e6], + ['800_333.33', '800_333.33.r2eff', 333.3333, 800e6], + ['800_400.00', '800_400.00.r2eff', 400.0000, 800e6], + ['800_466.67', '800_466.67.r2eff', 466.6666, 800e6], + ['800_533.33', '800_533.33.r2eff', 533.3333, 800e6], + ['800_600.00', '800_600.00.r2eff', 600.0000, 800e6], + ['800_666.67', '800_666.67.r2eff', 666.6666, 800e6], + ['800_733.33', '800_733.33.r2eff', 733.3333, 800e6], + ['800_800.00', '800_800.00.r2eff', 800.0000, 800e6], + ['800_866.67', '800_866.67.r2eff', 866.6666, 800e6], + ['800_933.33', '800_933.33.r2eff', 933.3333, 800e6], + ['800_1000.00', '800_1000.00.r2eff', 1000.0000, 800e6] ] # Loop over the spectra. -for file, cpmg_frq, H_frq in data: - relax_disp.r2eff_read(file=file, dir=data_path+sep+'r2eff_data', exp_type='CPMG', frq=H_frq, disp_frq=cpmg_frq, res_num_col=1, data_col=2, error_col=3) +for id, file, cpmg_frq, H_frq in data: + # Set the relaxation dispersion experiment type. + relax_disp.exp_type(spectrum_id=id, exp_type='CPMG') + + # Set the NMR field strength of the spectrum. + spectrometer.frequency(id=id, frq=H_frq) + + # Relaxation dispersion CPMG constant time delay T (in s). + relax_disp.relax_time(spectrum_id=id, time=0.030) + + # Load the R2eff data. + relax_disp.r2eff_read(id=id, file=file, dir=data_path+sep+'r2eff_data', disp_frq=cpmg_frq, res_num_col=1, data_col=2, error_col=3) # Deselect unresolved spins. deselect.read(file='unresolved', dir=data_path+sep+'500_MHz', res_num_col=1)