diff options
| -rw-r--r-- | lib/algorithm.rb | 2 | ||||
| -rw-r--r-- | lib/utils.rb | 4 |
2 files changed, 3 insertions, 3 deletions
diff --git a/lib/algorithm.rb b/lib/algorithm.rb index 54bb371..f27baa5 100644 --- a/lib/algorithm.rb +++ b/lib/algorithm.rb @@ -96,7 +96,7 @@ module OpenTox @training_dataset.compounds.each do |compound| entry=@training_dataset.data_entries[compound] begin - smiles = OpenTox::Compound.smiles(compound.to_s) + smiles = OpenTox::Compound.new(compound).to_smiles rescue LOGGER.warn "No resource for #{compound.to_s}" next diff --git a/lib/utils.rb b/lib/utils.rb index f6f8a4a..e04199d 100644 --- a/lib/utils.rb +++ b/lib/utils.rb @@ -467,8 +467,8 @@ module OpenTox end - # Effect calculation for classification - # @param [Array] Array of occurrences per class in the form of Enumerables. + # Effect calculation for classification. It is assumed that the elements of the arrays match each other pairwise + # @param [Array] Array of occurrences per class (in the form of Enumerables). # @param [Array] Array of database instance counts per class. def self.effect(occurrences, db_instances) max=0 |