diff options
Diffstat (limited to 'lib/prediction_data.rb')
| -rw-r--r-- | lib/prediction_data.rb | 34 |
1 files changed, 24 insertions, 10 deletions
diff --git a/lib/prediction_data.rb b/lib/prediction_data.rb index d387d24..5f11957 100644 --- a/lib/prediction_data.rb +++ b/lib/prediction_data.rb @@ -172,11 +172,16 @@ module Lib predicted_values = [] confidence_values = [] + dup_compounds = [] + dup_actual_values = [] count = 0 - compounds.each do |c| + compounds.size.times do |i| + c = compounds[i] if prediction_dataset.compounds.index(c)==nil predicted_values << nil confidence_values << nil + dup_compounds << c + dup_actual_values << actual_values[i] else case feature_type when "classification" @@ -184,19 +189,28 @@ module Lib when "regression" vals = regression_vals(prediction_dataset, c, predicted_variable) end - raise "not yet implemented: more than one prediction for one compound" if vals.size>1 - predicted_values << vals[0] - if predicted_confidence - confidence_values << confidence_val(prediction_dataset, c, predicted_confidence) - else - confidence_values << nil - end + + #vals.uniq! #more than one prediciton is ok if it yields the equal value + #raise "not yet implemented: more than one prediction for one compound '#{vals.inspect}'" if vals.size>1 + #predicted_values << vals[0] + + vals.each do |val| + dup_compounds << c + dup_actual_values << actual_values[i] + predicted_values << val + + if predicted_confidence + confidence_values << confidence_val(prediction_dataset, c, predicted_confidence) + else + confidence_values << nil + end + end end count += 1 end - all_compounds += compounds + all_compounds += dup_compounds all_predicted_values += predicted_values - all_actual_values += actual_values + all_actual_values += dup_actual_values all_confidence_values += confidence_values task.progress( task_status += task_step ) if task # loaded predicted values and confidence |