1 files changed, 69 insertions, 0 deletions
diff --git a/lib/train-test-validation.rb b/lib/train-test-validation.rb
new file mode 100644
index 0000000..71abad2
--- /dev/null
+++ b/lib/train-test-validation.rb
@@ -0,0 +1,69 @@
+module OpenTox
+
+  module Validation
+
+    class TrainTest < Validation
+
+      field :training_dataset_id, type: BSON::ObjectId
+      field :test_dataset_id, type: BSON::ObjectId
+
+      def self.create model, training_set, test_set
+        
+        validation_model = model.class.create prediction_feature: model.prediction_feature, training_dataset: training_set, algorithms: model.algorithms
+        validation_model.save
+        predictions = validation_model.predict test_set.substances
+        nr_unpredicted = 0
+        predictions.each do |cid,prediction|
+          if prediction[:value]
+            prediction[:measurements] = test_set.values(cid, prediction[:prediction_feature_id])
+          else
+            nr_unpredicted += 1
+          end
+        end
+        predictions.select!{|cid,p| p[:value] and p[:measurements]}
+        validation = self.new(
+          :model_id => validation_model.id,
+          :test_dataset_id => test_set.id,
+          :nr_instances => test_set.substances.size,
+          :nr_unpredicted => nr_unpredicted,
+          :predictions => predictions
+        )
+        validation.save
+        validation
+      end
+
+      def test_dataset
+        Dataset.find test_dataset_id
+      end
+
+      def training_dataset
+        Dataset.find training_dataset_id
+      end
+
+    end
+
+    class ClassificationTrainTest < TrainTest
+      include ClassificationStatistics
+      field :accept_values, type: Array
+      field :confusion_matrix, type: Array
+      field :weighted_confusion_matrix, type: Array
+      field :accuracy, type: Float
+      field :weighted_accuracy, type: Float
+      field :true_rate, type: Hash
+      field :predictivity, type: Hash
+      field :probability_plot_id, type: BSON::ObjectId
+    end
+
+    class RegressionTrainTest < TrainTest
+      include RegressionStatistics
+      field :rmse, type: Float, default:0
+      field :mae, type: Float, default:0
+      field :r_squared, type: Float
+      field :within_prediction_interval, type: Integer, default:0
+      field :out_of_prediction_interval, type: Integer, default:0
+      field :correlation_plot_id, type: BSON::ObjectId
+    end
+
+  end
+
+end