Author: tlinnet Date: Mon Oct 6 02:39:53 2014 New Revision: 26156 URL: http://svn.gna.org/viewcvs/relax?rev=26156&view=rev Log: Fix for calling back_calc_r2eff with the new argument keywords, and use list of spin and spind ids.
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/api.py Modified: trunk/specific_analyses/relax_disp/api.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=26156&r1=26155&r2=26156&view=diff ============================================================================== --- trunk/specific_analyses/relax_disp/api.py (original) +++ trunk/specific_analyses/relax_disp/api.py Mon Oct 6 02:39:53 2014 @@ -419,12 +419,12 @@ spin, spin_id = data_id # Back calculate the R2eff/R1rho data. - back_calc = back_calc_r2eff(spin=spin, spin_id=spin_id) + back_calc = back_calc_r2eff(spins=[spin], spin_ids=[spin_id]) # Get the attached proton data. if proton_mmq_flag: proton = return_attached_protons(spin_id)[0] - proton_back_calc = back_calc_r2eff(spin=proton, spin_id=spin_id) + proton_back_calc = back_calc_r2eff(spins=[proton], spin_ids=[spin_id]) # Convert to a dictionary matching the R2eff data structure. values = {} _______________________________________________ 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
