Author: tlinnet Date: Fri Aug 22 15:22:38 2014 New Revision: 25220 URL: http://svn.gna.org/viewcvs/relax?rev=25220&view=rev Log: Fix for systemtest Relax_disp.test_exp_fit(), where the spin.isotope was not set.
The new call to return_r2eff_arrays(), when producing graphs, raise RelaxSpinTypeError() if no isotope is set. bug #22461(https://gna.org/bugs/?22461): NS R1rho 2-site_fit_r1 has extremely high chi2 value in systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1. Modified: trunk/test_suite/system_tests/scripts/relax_disp/exp_fit.py Modified: trunk/test_suite/system_tests/scripts/relax_disp/exp_fit.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/exp_fit.py?rev=25220&r1=25219&r2=25220&view=diff ============================================================================== --- trunk/test_suite/system_tests/scripts/relax_disp/exp_fit.py (original) +++ trunk/test_suite/system_tests/scripts/relax_disp/exp_fit.py Fri Aug 22 15:22:38 2014 @@ -42,6 +42,9 @@ spin.create(res_name='Asp', res_num=1, spin_name='N') spin.create(res_name='Gly', res_num=2, spin_name='N') spin.create(res_name='Lys', res_num=3, spin_name='N') + +# Name the isotope for field strength scaling. +spin.isotope(isotope='15N') # The spectral data - spectrum ID, peak lists, offset frequency (Hz), relaxation time period (s), baseplane RMSD estimate. data = [ _______________________________________________ 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
