diff options
Diffstat (limited to 'lib/dfatool.py')
| -rwxr-xr-x | lib/dfatool.py | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/lib/dfatool.py b/lib/dfatool.py index 528eabc..8990aed 100755 --- a/lib/dfatool.py +++ b/lib/dfatool.py @@ -1014,6 +1014,7 @@ def _try_fits(by_param, state_or_tran, model_attribute, param_index, safe_functi if not len(ref_results['mean']): # Insufficient data for fitting + #print('[W] Insufficient data for fitting {}/{}/{}'.format(state_or_tran, model_attribute, param_index)) return { 'best' : None, 'best_rmsd' : np.inf, @@ -1089,7 +1090,7 @@ def get_fit_result(results, name, attribute, verbose = False): this_result['mean_rmsd'], this_result['median_rmsd'])) # See notes on depends_on_param elif this_result['best_rmsd'] >= 0.8 * min(this_result['mean_rmsd'], this_result['median_rmsd']): - vprint(verbose, '[I] Not modeling {} {} as function of {}: best ({:.0f}) is not much better than ({:.0f}, {:.0f})'.format( + vprint(verbose, '[I] Not modeling {} {} as function of {}: best ({:.0f}) is not much better than ref ({:.0f}, {:.0f})'.format( name, attribute, result['key'][2], this_result['best_rmsd'], this_result['mean_rmsd'], this_result['median_rmsd'])) else: |