Author: tlinnet Date: Mon Oct 6 02:39:51 2014 New Revision: 26155 URL: http://svn.gna.org/viewcvs/relax?rev=26155&view=rev Log: Fix for graph plotting functionality to send spins as list of one spins.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues. Modified: trunk/specific_analyses/relax_disp/data.py Modified: trunk/specific_analyses/relax_disp/data.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/data.py?rev=26155&r1=26154&r2=26155&view=diff ============================================================================== --- trunk/specific_analyses/relax_disp/data.py (original) +++ trunk/specific_analyses/relax_disp/data.py Mon Oct 6 02:39:51 2014 @@ -1004,7 +1004,7 @@ back_calc = None else: # Back calculate R2eff data for the second sets of plots. - back_calc = specific_analyses.relax_disp.optimisation.back_calc_r2eff(spin=spin, spin_id=spin_id, cpmg_frqs=cpmg_frqs_new, spin_lock_nu1=spin_lock_nu1_new, relax_times_new=relax_times_new) + back_calc = specific_analyses.relax_disp.optimisation.back_calc_r2eff(spins=[spin], spin_ids=[spin_id], cpmg_frqs=cpmg_frqs_new, spin_lock_nu1=spin_lock_nu1_new, relax_times_new=relax_times_new) return interpolated_flag, back_calc, cpmg_frqs_new, offsets, spin_lock_fields_inter, chemical_shifts, tilt_angles, Delta_omega, w_eff @@ -1113,7 +1113,7 @@ back_calc = None else: # Back calculate R2eff data for the second sets of plots. - back_calc = specific_analyses.relax_disp.optimisation.back_calc_r2eff(spin=spin, spin_id=spin_id, spin_lock_offset=spin_lock_offset_new, spin_lock_nu1=spin_lock_fields_inter, relax_times_new=relax_times_new) + back_calc = specific_analyses.relax_disp.optimisation.back_calc_r2eff(spins=[spin], spin_ids=[spin_id], spin_lock_offset=spin_lock_offset_new, spin_lock_nu1=spin_lock_fields_inter, relax_times_new=relax_times_new) # cpmg_frqs are not interpolated. cpmg_frqs_new = None _______________________________________________ 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
