From 46c628f1757ce8274a0b277b3ec3306609b38c14 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Mon, 25 Jul 2016 15:53:22 +0200
Subject: local_weighted_average fallback fixed, cv predictions pulled from
 validations to avoid mongo document size errors

---
 lib/crossvalidation.rb | 10 ++++++++--
 lib/regression.rb      |  4 ++--
 test/nanoparticles.rb  |  4 ++--
 3 files changed, 12 insertions(+), 6 deletions(-)

diff --git a/lib/crossvalidation.rb b/lib/crossvalidation.rb
index 7aae3d2..d7a1f08 100644
--- a/lib/crossvalidation.rb
+++ b/lib/crossvalidation.rb
@@ -18,7 +18,7 @@ module OpenTox
         cv.save # set created_at
         nr_instances = 0
         nr_unpredicted = 0
-        predictions = {}
+        #predictions = {}
         training_dataset = Dataset.find model.training_dataset_id
         training_dataset.folds(n).each_with_index do |fold,fold_nr|
           #fork do # parallel execution of validations can lead to Rserve and memory problems
@@ -28,7 +28,7 @@ module OpenTox
             cv.validation_ids << validation.id
             cv.nr_instances += validation.nr_instances
             cv.nr_unpredicted += validation.nr_unpredicted
-            cv.predictions.merge! validation.predictions
+            #cv.predictions.merge! validation.predictions
             $logger.debug "Dataset #{training_dataset.name}, Fold #{fold_nr}:  #{Time.now-t} seconds"
           #end
         end
@@ -47,6 +47,12 @@ module OpenTox
       def validations
         validation_ids.collect{|vid| TrainTest.find vid}
       end
+
+      def predictions
+        predictions = {}
+        validations.each{|v| predictions.merge!(v.predictions)}
+        predictions
+      end
     end
 
     class ClassificationCrossValidation < CrossValidation
diff --git a/lib/regression.rb b/lib/regression.rb
index d034d0b..269a743 100644
--- a/lib/regression.rb
+++ b/lib/regression.rb
@@ -48,7 +48,7 @@ module OpenTox
         end
 
         if variables.empty?
-          prediction = local_weighted_average substance, neighbors
+          prediction = local_weighted_average(substance: substance, neighbors: neighbors)
           prediction[:warning] = "No variables for regression model. Using weighted average of similar substances."
           prediction
         else
@@ -104,7 +104,7 @@ module OpenTox
         pc_ids.compact!
 
         if pc_ids.empty?
-          prediction = local_weighted_average substance, neighbors
+          prediction = local_weighted_average(substance: substance, neighbors: neighbors)
           prediction[:warning] = "No relevant variables for regression model. Using weighted average of similar substances."
           prediction
         else
diff --git a/test/nanoparticles.rb b/test/nanoparticles.rb
index 0446086..b427eb0 100644
--- a/test/nanoparticles.rb
+++ b/test/nanoparticles.rb
@@ -6,8 +6,8 @@ class NanoparticleTest  < MiniTest::Test
 
   def setup
     # TODO: multiple runs create duplicates
-    #$mongo.database.drop
-    #Import::Enanomapper.import File.join(File.dirname(__FILE__),"data","enm")
+    $mongo.database.drop
+    Import::Enanomapper.import File.join(File.dirname(__FILE__),"data","enm")
   end
 
   def test_create_model
-- 
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