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-rw-r--r--lib/validation-statistics.rb8
1 files changed, 6 insertions, 2 deletions
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,