diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 13 |
1 files changed, 5 insertions, 8 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index a2b7e48..c25125b 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -198,9 +198,8 @@ module OpenTox # @param [Array] Array of feature names # @param [String] Feature dataset uri # @return [Hash] Hash with feature name as key and value as value - def lookup(feature_array,feature_dataset_uri,pc_type) - ds = OpenTox::Dataset.find(feature_dataset_uri) - + def lookup(feature_array,feature_dataset_uri,pc_type,subjectid=nil) + ds = OpenTox::Dataset.find(feature_dataset_uri,subjectid) #entry = ds.data_entries[self.uri] entry = nil ds.data_entries.each { |c_uri, values| @@ -209,17 +208,15 @@ module OpenTox break end } - LOGGER.debug "#{entry.size} entries in feature ds for query." unless entry.nil? if entry.nil? uri, smiles_to_inchi = OpenTox::Algorithm.get_pc_descriptors({:compounds => [self.uri], :pc_type => pc_type}) - uri = OpenTox::Algorithm.load_ds_csv(uri, smiles_to_inchi) - ds = OpenTox::Dataset.find(uri) + uri = OpenTox::Algorithm.load_ds_csv(uri, smiles_to_inchi, subjectid) + ds = OpenTox::Dataset.find(uri,subjectid) entry = ds.data_entries[self.uri] - ds.delete + ds.delete(subjectid) end - features = entry.keys features.each { |feature| new_feature = File.join(feature_dataset_uri, "feature", feature.split("/").last) |