diff options
Diffstat (limited to 'lib/algorithm/fminer.rb')
| -rw-r--r-- | lib/algorithm/fminer.rb | 17 |
1 files changed, 6 insertions, 11 deletions
diff --git a/lib/algorithm/fminer.rb b/lib/algorithm/fminer.rb index dd341db..071cb05 100644 --- a/lib/algorithm/fminer.rb +++ b/lib/algorithm/fminer.rb @@ -122,17 +122,12 @@ module OpenTox elsif @prediction_feature.feature_type == "regression" activity= compound_activities.to_f end - begin - fminer_instance.AddCompound(compound.smiles,id) if fminer_instance - fminer_instance.AddActivity(activity, id) if fminer_instance - @all_activities[id]=activity # DV: insert global information - @compounds[id] = compound - @smi[id] = compound.smiles - id += 1 - rescue Exception => e - LOGGER.warn "Could not add " + smiles + "\t" + values[i].to_s + " to fminer" - LOGGER.warn e.backtrace - end + fminer_instance.AddCompound(compound.smiles,id) if fminer_instance + fminer_instance.AddActivity(activity, id) if fminer_instance + @all_activities[id]=activity # DV: insert global information + @compounds[id] = compound + @smi[id] = compound.smiles + id += 1 end end end |