From b90a31b9f5356680efd782b18b3587fac8d8010e Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Mon, 3 Aug 2015 18:04:39 +0200
Subject: initial classification validation

---
 lib/bbrc.rb              |  2 +-
 lib/lazar.rb             | 12 +++++++++++-
 lib/opentox-algorithm.rb |  1 +
 3 files changed, 13 insertions(+), 2 deletions(-)

diff --git a/lib/bbrc.rb b/lib/bbrc.rb
index 6e3af3a..81eeedc 100644
--- a/lib/bbrc.rb
+++ b/lib/bbrc.rb
@@ -34,7 +34,7 @@ module OpenTox
           minfreq = minfreq.round
         end
 
-        @bbrc = Bbrc::Bbrc.new
+        @bbrc ||= Bbrc::Bbrc.new
         @bbrc.Reset
         if prediction_feature.numeric 
           @bbrc.SetRegression(true) # AM: DO NOT MOVE DOWN! Must happen before the other Set... operations!
diff --git a/lib/lazar.rb b/lib/lazar.rb
index 1e123d7..2bb89cd 100644
--- a/lib/lazar.rb
+++ b/lib/lazar.rb
@@ -170,7 +170,9 @@ module OpenTox
           # prepare prediction dataset
           prediction_dataset = LazarPrediction.new(
             :title => "Lazar prediction for #{prediction_feature.title}",
-            :creator =>  __FILE__
+            :creator =>  __FILE__,
+            :prediction_feature_id => prediction_feature.id
+
           )
           confidence_feature = OpenTox::NumericFeature.find_or_create_by( "title" => "Prediction confidence" )
           warning_feature = OpenTox::NominalFeature.find_or_create_by("title" => "Warnings")
@@ -182,6 +184,14 @@ module OpenTox
         end
 
       end
+
+      def training_dataset
+        Dataset.find training_dataset_id
+      end
+
+      def prediction_feature
+        Feature.find prediction_feature_id
+      end
       
       def training_activities
         i = @training_dataset.feature_ids.index prediction_feature_id
diff --git a/lib/opentox-algorithm.rb b/lib/opentox-algorithm.rb
index 790803b..74e058c 100644
--- a/lib/opentox-algorithm.rb
+++ b/lib/opentox-algorithm.rb
@@ -23,3 +23,4 @@ require_relative "similarity.rb"
 #require_relative "neighbors.rb"
 require_relative "classification.rb"
 require_relative "regression.rb"
+require_relative "validation.rb"
-- 
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