module OpenTox class Dataset include Owl def initialize super end # create/add to entry from uris or Redland::Resources def add(compound,feature,value) compound = self.find_or_create_compound compound unless compound.class == Redland::Resource feature = self.find_or_create_feature feature unless feature.class == Redland::Resource data_entry = @model.subject OT['compound'], compound if data_entry.nil? data_entry = @model.create_resource @model.add data_entry, RDF['type'], OT["DataEntry"] @model.add data_entry, OT['compound'], compound end values = @model.create_resource @model.add data_entry, OT['values'], values @model.add values, RDF['type'], OT['FeatureValue'] @model.add values, OT['feature'], feature @model.add values, OT['value'], value.to_s end def add_tuple(compound,tuple) compound = self.find_or_create_compound compound unless compound.class == Redland::Resource data_entry = @model.subject OT['compound'], compound if data_entry.nil? data_entry = @model.create_resource @model.add data_entry, RDF['type'], OT["DataEntry"] @model.add data_entry, OT['compound'], compound end @model.add data_entry, OT['values'], tuple end def create_tuple(feature,t) feature = self.find_or_create_feature feature unless feature.class == Redland::Resource tuple = @model.create_resource @model.add tuple, RDF['type'], OT["Tuple"] @model.add tuple, OT['feature'], feature t.each do |name,value| f = self.find_or_create_feature name unless name.class == Redland::Resource complex_value = @model.create_resource feature = self.find_or_create_feature(name) @model.add tuple, OT['complexValue'], complex_value @model.add complex_value, RDF['type'], OT["FeatureValue"] @model.add complex_value, OT['feature'], f @model.add complex_value, OT['value'], value.to_s end tuple end # find or create a new compound and return the resource def find_or_create_compound(uri) compound = @model.subject(DC["identifier"], uri) if compound.nil? compound = @model.create_resource @model.add compound, RDF['type'], OT["Compound"] @model.add compound, DC["identifier"], uri end compound end # find or create a new feature and return the resource def find_or_create_feature(uri) feature = @model.subject(DC["identifier"], uri) if feature.nil? feature = @model.create_resource @model.add feature, RDF['type'], OT["Feature"] @model.add feature, DC["identifier"], uri @model.add feature, DC["title"], File.basename(uri).split(/#/)[1] @model.add feature, DC['source'], uri end feature end def self.create(data, content_type = 'application/rdf+xml') uri = RestClient::Resource.new(@@config[:services]["opentox-dataset"], :user => request.username, :password => request.password).post data, :content_type => content_type dataset = Dataset.new dataset.read uri.to_s dataset end def self.find(uri) begin dataset = Dataset.new data = RestClient.get uri, :accept => 'application/rdf+xml' # check if the resource is available dataset.rdf = data dataset rescue nil end end def features features = [] @model.subjects(RDF['type'], OT["Feature"]).each do |feature_node| features << @model.object(feature_node, DC["identifier"])# end features end def data data = {} @model.subjects(RDF['type'], OT['DataEntry']).each do |data_entry| compound_node = @model.object(data_entry, OT['compound']) @model.find(compound_node, OT['identifier'],nil) {|s,p,o| puts o.to_s} compound_uri = @model.object(compound_node, DC['identifier']).to_s data[compound_uri] = [] unless data[compound_uri] @model.find(data_entry, OT['values'], nil) do |s,p,values| entry = {} feature_node = @model.object values, OT['feature'] feature_uri = @model.object(feature_node, DC['identifier']).to_s # TODO simple features type = @model.object(values, RDF['type']) if type == OT['FeatureValue'] #entry[feature_uri] = [] unless entry[feature_uri] entry[feature_uri] = @model.object(values, OT['value']).to_s elsif type == OT['Tuple'] entry[feature_uri] = {} unless entry[feature_uri] @model.find(values, OT['complexValue'],nil) do |s,p,complex_value| name_node = @model.object complex_value, OT['feature'] name = @model.object(name_node, DC['title']).to_s value = @model.object(complex_value, OT['value']).to_s entry[feature_uri][name] = value end end data[compound_uri] << entry end end data end def feature_values(feature_uri) features = {} feature = @model.subject(DC["identifier"],feature_uri) @model.subjects(RDF['type'], OT["Compound"]).each do |compound_node| compound = @model.object(compound_node, DC["identifier"]).to_s.sub(/^\[(.*)\]$/,'\1') features[compound] = [] unless features[compound] data_entry = @model.subject(OT['compound'], compound_node) @model.find( data_entry, OT['values'], nil ) do |s,p,values| if feature == @model.object(values, OT['feature']) value = @model.object(values, OT['value']) case value.to_s when "true" features[compound] << true when "false" features[compound] << false else features[compound] << value.to_s end end end end features end def compounds compounds = [] @model.subjects(RDF['type'], OT["Compound"]).each do |compound_node| compounds << @model.object(compound_node, DC["identifier"]).to_s end compounds end # Delete a dataset def delete resource = RestClient::Resource.new(@uri, :user => request.username, :password => request.password) resource.delete end def save RestClient::Resource.new(@@config[:services]["opentox-dataset"], :user => request.username, :password => request.password).post(self.rdf, :content_type => "application/rdf+xml").to_s end def to_yaml { :uri => self.uri, :opentox_class => self.owl_class, :title => self.title, :source => self.source, :identifier => self.identifier, :compounds => self.compounds.collect{|c| c.to_s.to_s.sub(/^\[(.*)\]$/,'\1')}, :features => self.features.collect{|f| f.to_s } }.to_yaml end end end