Oups... You're right... My mistake... I'll try to do that in the future...
svn cp ! Thanks for spotting that... Séb P.S. I made this same error for 'relax_disp.py' in 'test-suite/system_tests', 'prompt' and 'specific_fns'... Do you want me to revert all the changes and add the files properly using 'svn cp' ? Edward d'Auvergne wrote: > Seb, > > In the future, to preserve the historic links between the code, it > would be worth using the 'svn cp' command to copy the file rather than > copying and adding. It is probably too late to revert this one > though. > > Cheers, > > Edward > > > On Tue, Jan 6, 2009 at 8:07 PM, <[email protected]> wrote: > >> Author: semor >> Date: Tue Jan 6 20:07:10 2009 >> New Revision: 8229 >> >> URL: http://svn.gna.org/viewcvs/relax?rev=8229&view=rev >> Log: >> Added a directory and a script for relaxation dispersion curve fitting >> system tests. >> >> The next step will be to find published data to use in the tests. We will >> need data for the three >> cases of slow-, intermediate-, and fast-exchange... >> >> >> Added: >> branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py >> >> Added: branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py >> URL: >> http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py?rev=8229&view=auto >> ============================================================================== >> --- branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py (added) >> +++ branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py Tue >> Jan 6 20:07:10 2009 >> @@ -1,0 +1,96 @@ >> +# Script for relaxation curve fitting. >> + >> +import sys >> + >> + >> +# Create the data pipe. >> +pipe.create('rx', 'relax_disp') >> + >> +# The path to the data files. >> +data_path = sys.path[-1] + '/test_suite/shared_data/relax_disp' >> + >> +## Load the sequence. >> +#sequence.read('Ap4Aase.seq', dir=sys.path[-1] + '/test_suite/shared_data') >> +# >> +## Name the spins so they can be matched to the assignments. >> +#spin.name(name='N') >> +# >> +## Spectrum names. >> +#names = [ >> +# 'T2_ncyc1_ave', >> +# 'T2_ncyc1b_ave', >> +# 'T2_ncyc2_ave', >> +# 'T2_ncyc4_ave', >> +# 'T2_ncyc4b_ave', >> +# 'T2_ncyc6_ave', >> +# 'T2_ncyc9_ave', >> +# 'T2_ncyc9b_ave', >> +# 'T2_ncyc11_ave', >> +# 'T2_ncyc11b_ave' >> +#] >> +# >> +## Relaxation times (in seconds). >> +#times = [ >> +# 0.0176, >> +# 0.0176, >> +# 0.0352, >> +# 0.0704, >> +# 0.0704, >> +# 0.1056, >> +# 0.1584, >> +# 0.1584, >> +# 0.1936, >> +# 0.1936 >> +#] >> +# >> +## 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='height') >> +# >> +# # Set the relaxation times. >> +# relax_fit.relax_time(time=times[i], spectrum_id=names[i]) >> +# >> +## Specify the duplicated spectra. >> +#spectrum.replicated(spectrum_ids=['T2_ncyc1_ave', 'T2_ncyc1b_ave']) >> +#spectrum.replicated(spectrum_ids=['T2_ncyc4_ave', 'T2_ncyc4b_ave']) >> +#spectrum.replicated(spectrum_ids=['T2_ncyc9_ave', 'T2_ncyc9b_ave']) >> +#spectrum.replicated(spectrum_ids=['T2_ncyc11_ave', 'T2_ncyc11b_ave']) >> +# >> +## Peak intensity error analysis. >> +#spectrum.error_analysis() >> +# >> +## Deselect unresolved spins. >> +#deselect.read(file='unresolved', dir=data_path) >> +# >> +## Set the relaxation curve type. >> +#relax_fit.select_model('exp') >> +# >> +## Grid search. >> +#grid_search(inc=11) >> +# >> +## Minimise. >> +#minimise('simplex', constraints=False) >> +# >> +## Monte Carlo simulations. >> +#monte_carlo.setup(number=10) >> +#monte_carlo.create_data() >> +#monte_carlo.initial_values() >> +#minimise('simplex', constraints=False) >> +#monte_carlo.error_analysis() >> +# >> +## Save the relaxation rates. >> +#value.write(param='rx', file='devnull', force=True) >> +# >> +## Save the results. >> +#results.write(file='devnull', force=True) >> +# >> +## Create Grace plots of the data. >> +#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). >> +# >> +## 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 > > _______________________________________________ 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
