Seb, It looks like this script should now run. One thing that is happening with the sample scripts in the 1.3 line is that copyright notices are being added. The point isn't for legal reasons, it's just so that the user of the script can see who wrote the script. For example if relax users submit scripts that others could benefit from, their names will be credited within the script. Importantly this also allows the user to see how old the file is through the copyright date. And you can also identify immediately that this is a relax script. So if you could add a notice for yourself, that would be appreciated.
Cheers, Edward On Fri, Jul 4, 2008 at 4:37 PM, <[EMAIL PROTECTED]> wrote: > Author: semor > Date: Fri Jul 4 16:37:40 2008 > New Revision: 6673 > > URL: http://svn.gna.org/viewcvs/relax?rev=6673&view=rev > Log: > Some changes towards the new design. > > The script doesn't work yet and will be introduced into the test suite for > further debugging. > > > Modified: > 1.3/sample_scripts/consistency_tests.py > > Modified: 1.3/sample_scripts/consistency_tests.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/consistency_tests.py?rev=6673&r1=6672&r2=6673&view=diff > ============================================================================== > --- 1.3/sample_scripts/consistency_tests.py (original) > +++ 1.3/sample_scripts/consistency_tests.py Fri Jul 4 16:37:40 2008 > @@ -4,43 +4,44 @@ > name = 'consistency' > pipe.create(name, 'ct') > > -# Nuclei type > -nuclei('N') > - > # Load the sequence. > -sequence.read(name, 'noe.600.out') > +sequence.read('noe.600.out') > > # Load the relaxation data. > -relax_data.read(name, 'R1', '600', 600.0 * 1e6, 'r1.600.out') > -relax_data.read(name, 'R2', '600', 600.0 * 1e6, 'r2.600.out') > -relax_data.read(name, 'NOE', '600', 600.0 * 1e6, 'noe.600.out') > +relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') > +relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') > +relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') > + > +# Set the nuclei types > +value.set('15N', 'heteronucleus') > +value.set('1H', 'proton') > > # Set the bond length and CSA values. > -value.set(name, 1.02 * 1e-10, 'bond_length') > -value.set(name, -172 * 1e-6, 'csa') > +value.set(1.02 * 1e-10, 'bond_length') > +value.set(-172 * 1e-6, 'csa') > > # Set the angle between the 15N-1H vector and the principal axis of the 15N > chemical shift tensor > -value.set(name, 15.7, 'orientation') > +value.set(15.7, 'orientation') > > # Set the approximate correlation time. > -value.set(name, 13 * 1e-9, 'tc') > +value.set(13 * 1e-9, 'tc') > > # Set the frequency. > -consistency_tests.set_frq(name, frq=600.0 * 1e6) > +consistency_tests.set_frq(frq=600.0 * 1e6) > > # Consistency tests. > -calc(name) > +calc() > > # Monte Carlo simulations. > -monte_carlo.setup(name, number=500) > -monte_carlo.create_data(name) > -calc(name) > -monte_carlo.error_analysis(name) > +monte_carlo.setup(number=500) > +monte_carlo.create_data() > +calc() > +monte_carlo.error_analysis() > > # Create grace files. > -grace.write(name, y_data_type='j0', file='j0.agr', force=1) > -grace.write(name, y_data_type='f_eta', file='f_eta.agr', force=1) > -grace.write(name, y_data_type='f_r2', file='f_r2.agr', force=1) > +grace.write(y_data_type='j0', file='j0.agr', force=True) > +grace.write(y_data_type='f_eta', file='f_eta.agr', force=True) > +grace.write(y_data_type='f_r2', file='f_r2.agr', force=True) > > # View the grace files. > grace.view(file='j0.agr') > @@ -48,5 +49,5 @@ > grace.view(file='f_r2.agr') > > # Finish. > -results.write(run=name, file='results', force=1) > -state.save('save', force=1) > +results.write(file='results', force=True) > +state.save('save', 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
