On Tue, 2006-04-11 at 17:03 +1000, Edward d'Auvergne wrote:
I've solved the problem to bug #5746 located at https://gna.org/bugs/?func=detailitem&item_id=5746. The issue was simply an incorrect test in the 'self.model_statistics()' function of the model-free specific code. The diff of the fix is: Index: specific_fns/model_free.py =================================================================== --- specific_fns/model_free.py (revision 2461) +++ specific_fns/model_free.py (working copy) @@ -2515,7 +2515,7 @@ # Sequence specific data. # Statistics for a single residue. - if not global_stats and not combine: + if not global_stats or not combine: # Skip unselected residues.model_selection('AIC', run) if not self.relax.data.res[self.run][instance].select: return None, None, None
This change breaks model selection of diffusion tensors. If the attached state file is loaded into r2464, and I do eliminate(), model_selection('AIC', 'final') I get: AIC model selection. Instance 0. Run Num_params_(k) Num_data_sets_(n) Chi2 Criterion The model from the run None has been selected. If I revert the above change (by hand), I get the expected behaviour: AIC model selection. Instance 0. Run Num_params_(k) Num_data_sets_(n) Chi2 Criterion sphere 35 133 380.01225 450.01225 prolate 35 126 316.95532 386.95532 The model from the run 'prolate' has been selected. Chris
Attachment:
before_modSel.bz2
Description: application/bzip