Author: bugman Date: Wed Mar 2 20:29:14 2011 New Revision: 12744 URL: http://svn.gna.org/viewcvs/relax?rev=12744&view=rev Log: Fixes for the model-free calculate() method - spin.relax_error no longer exists. Modified: branches/relax_data/specific_fns/model_free/mf_minimise.py Modified: branches/relax_data/specific_fns/model_free/mf_minimise.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/model_free/mf_minimise.py?rev=12744&r1=12743&r2=12744&view=diff ============================================================================== --- branches/relax_data/specific_fns/model_free/mf_minimise.py (original) +++ branches/relax_data/specific_fns/model_free/mf_minimise.py Wed Mar 2 20:29:14 2011 @@ -1086,6 +1086,7 @@ # Loop over the spins. for spin in spin_loop(spin_id): + print spin # Skip deselected spins. if not spin.select: continue @@ -1120,14 +1121,14 @@ raise RelaxNoValueError("bond length") # Skip spins where there is no data or errors. - if not hasattr(spin, 'ri_data') or not hasattr(spin, 'relax_error'): + if not hasattr(spin, 'ri_data') or not hasattr(spin, 'ri_data_err'): continue # Make sure that the errors are strictly positive numbers. - for j in xrange(len(spin.relax_error)): - if spin.relax_error[j] == 0.0: + for ri_id in cdp.ri_ids: + if spin.ri_data_err[ri_id] == 0.0: raise RelaxError("Zero error for spin '" + repr(spin.num) + " " + spin.name + "', calculation not possible.") - elif spin.relax_error[j] < 0.0: + elif spin.ri_data_err[ri_id] < 0.0: raise RelaxError("Negative error for spin '" + repr(spin.num) + " " + spin.name + "', calculation not possible.") # Create the initial parameter vector.