diff options
author | gebele <gebele@in-silico.ch> | 2017-05-26 12:53:01 +0000 |
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committer | gebele <gebele@in-silico.ch> | 2017-05-26 12:53:01 +0000 |
commit | 6ed197736516d98e200cc64d922f42eb3122589c (patch) | |
tree | d2c7de76b020be254cc82563d36e6711fd6f1867 /lib/validation-statistics.rb | |
parent | 61a7d994d8f4fbcf25414beea96189bf885ad19d (diff) | |
parent | 9aa5203dd375225996c1efe4be1a4324ddc6cda7 (diff) |
Merge branch 'development'
Diffstat (limited to 'lib/validation-statistics.rb')
-rw-r--r-- | lib/validation-statistics.rb | 8 |
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, |