From 1f95bfdc11de7c4fdc2e9f0313be3506dd6ea9c1 Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Thu, 4 May 2017 09:50:08 +0000
Subject: ensure warnings for validation statistics

---
 lib/crossvalidation.rb       | 1 +
 lib/validation-statistics.rb | 8 ++++++--
 2 files changed, 7 insertions(+), 2 deletions(-)

diff --git a/lib/crossvalidation.rb b/lib/crossvalidation.rb
index 75c5db5..06a1e2a 100644
--- a/lib/crossvalidation.rb
+++ b/lib/crossvalidation.rb
@@ -90,6 +90,7 @@ module OpenTox
       field :within_prediction_interval, type: Integer, default:0
       field :out_of_prediction_interval, type: Integer, default:0
       field :correlation_plot_id, type: BSON::ObjectId
+      field :warnings, type: Array
     end
 
     # Independent repeated crossvalidations
diff --git a/lib/validation-statistics.rb b/lib/validation-statistics.rb
index 2d522ae..69e7992 100644
--- a/lib/validation-statistics.rb
+++ b/lib/validation-statistics.rb
@@ -111,6 +111,7 @@ module OpenTox
       # Get statistics
       # @return [Hash]
       def statistics
+        self.warnings = []
         self.rmse = 0
         self.mae = 0
         self.within_prediction_interval = 0
@@ -132,8 +133,10 @@ module OpenTox
               end
             end
           else
-            warnings << "No training activities for #{Compound.find(compound_id).smiles} in training dataset #{model.training_dataset_id}."
-            $logger.debug "No training activities for #{Compound.find(compound_id).smiles} in training dataset #{model.training_dataset_id}."
+            trd_id = model.training_dataset_id
+            smiles = Compound.find(cid).smiles
+            self.warnings << "No training activities for #{smiles} in training dataset #{trd_id}."
+            $logger.debug "No training activities for #{smiles} in training dataset #{trd_id}."
           end
         end
         R.assign "measurement", x
@@ -146,6 +149,7 @@ module OpenTox
         $logger.debug "RMSE #{rmse}"
         $logger.debug "MAE #{mae}"
         $logger.debug "#{percent_within_prediction_interval.round(2)}% of measurements within prediction interval"
+        $logger.debug "#{warnings}"
         save
         {
           :mae => mae,
-- 
cgit v1.2.3