Hi Seb, I'm in the process of updating all of the branches using svnmerge.py and have noticed that there is a problem with your inversion-recovery branch. It seems to be that the system test script branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py was renamed to relax_fit_exp_2param_neg.py. Have you had problems with svnmerge.py before? And if so, how did you resolved the problem?
Cheers, Edward On 17 June 2011 17:23, <[email protected]> wrote: > Author: semor > Date: Fri Jun 17 17:23:14 2011 > New Revision: 13114 > > URL: http://svn.gna.org/viewcvs/relax?rev=13114&view=rev > Log: > > Added '_exp_2param_neg' in the name for the tests currently using the > function 'exp_2param_neg'. > > This is the first step before making a test for the 'inversion-recovery' > function 'exp_3param_inv_neg'. > > > Added: > > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_2param_neg.py > - copied unchanged from r13113, > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py > Removed: > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py > Modified: > branches/inversion-recovery/test_suite/system_tests/relax_fit.py > > Modified: branches/inversion-recovery/test_suite/system_tests/relax_fit.py > URL: > http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/relax_fit.py?rev=13114&r1=13113&r2=13114&view=diff > ============================================================================== > --- branches/inversion-recovery/test_suite/system_tests/relax_fit.py > (original) > +++ branches/inversion-recovery/test_suite/system_tests/relax_fit.py Fri Jun > 17 17:23:14 2011 > @@ -127,27 +127,27 @@ > self.assertEqual(lines[index][1], '487178.0') > > > - def test_curve_fitting_height(self): > + def test_curve_fitting_height_exp_2param_neg(self): > """Test the relaxation curve fitting C modules.""" > > # The intensity type. > ds.int_type = 'height' > > # Execute the script. > - self.interpreter.run(script_file=status.install_path + > sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_fit.py') > + self.interpreter.run(script_file=status.install_path + > sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_fit_exp_2param_neg.py') > > # Check the curve-fitting results. > self.check_curve_fitting() > > > - def test_curve_fitting_volume(self): > + def test_curve_fitting_volume_exp_2param_neg(self): > """Test the relaxation curve fitting C modules.""" > > # The intensity type. > ds.int_type = 'volume' > > # Execute the script. > - self.interpreter.run(script_file=status.install_path + > sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_fit.py') > + self.interpreter.run(script_file=status.install_path + > sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_fit_exp_2param_neg.py') > > # Check the curve-fitting results. > self.check_curve_fitting() > > Removed: > branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py > URL: > http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py?rev=13113&view=auto > ============================================================================== > --- branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py > (original) > +++ branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit.py > (removed) > @@ -1,107 +1,0 @@ > -# Script for relaxation curve fitting. > - > -# Python module imports. > -from os import sep > -import sys > - > -# relax module imports. > -from data import Relax_data_store; ds = Relax_data_store() > -from status import Status; status = Status() > - > - > -# Missing intensity type (allow this script to run outside of the system > test framework). > -if not hasattr(ds, 'int_type'): > - ds.int_type = 'height' > - > - > -# Create the data pipe. > -pipe.create('rx', 'relax_fit') > - > -# The path to the data files. > -data_path = status.install_path + > sep+'test_suite'+sep+'shared_data'+sep+'curve_fitting' > - > -# Load the sequence. > -sequence.read('Ap4Aase.seq', dir=status.install_path + > sep+'test_suite'+sep+'shared_data', res_num_col=1, res_name_col=2) > - > -# 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=ds.int_type) > - > - # 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, res_num_col=1) > - > -# Set the relaxation curve type. > -relax_fit.select_model('exp_2param_neg') > - > -# Grid search. > -grid_search(inc=11) > - > -# Minimise. > -minimise('simplex', constraints=False) > - > -# Monte Carlo simulations. > -monte_carlo.setup(number=3) > -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
