diff options
Diffstat (limited to 'lib/bbrc.rb')
| -rw-r--r-- | lib/bbrc.rb | 15 |
1 files changed, 3 insertions, 12 deletions
diff --git a/lib/bbrc.rb b/lib/bbrc.rb index 6b0eb26..6e3af3a 100644 --- a/lib/bbrc.rb +++ b/lib/bbrc.rb @@ -34,11 +34,6 @@ module OpenTox minfreq = minfreq.round end - #@fminer=OpenTox::Algorithm::Fminer.new - #@fminer.check_params(dataset,params,5) - #p @fminer.instance_variables - - @bbrc = Bbrc::Bbrc.new @bbrc.Reset if prediction_feature.numeric @@ -47,8 +42,7 @@ module OpenTox bad_request_error "No accept values for "\ "dataset '#{training_dataset.id}' and "\ "feature '#{prediction_feature.id}'" unless prediction_feature.accept_values - act2value = prediction_feature.accept_values.each_index.inject({}) { |h,idx| h[idx+1]=prediction_feature.accept_values[idx]; h } - value2act = act2value.invert + value2act = Hash[[*prediction_feature.accept_values.map.with_index]] end @bbrc.SetMinfreq(minfreq) @bbrc.SetType(1) if params[:feature_type] == "paths" @@ -70,10 +64,7 @@ module OpenTox ) feature_dataset.compounds = training_dataset.compounds - $logger.debug "Setup: #{Time.now-time}" - time = Time.now - # Add data to fminer - #@fminer.add_fminer_data(@bbrc, value_map) + # add data training_dataset.compounds.each_with_index do |compound,i| @bbrc.AddCompound(compound.smiles,i+1) act = value2act[training_dataset.data_entries[i].first] @@ -84,7 +75,7 @@ module OpenTox #task.progress 10 #step_width = 80 / @bbrc.GetNoRootNodes().to_f - $logger.debug "Setup: #{Time.now-time}" + $logger.debug "BBRC setup: #{Time.now-time}" time = Time.now ftime = 0 itime = 0 |