module OpenTox class Dataset include Owl def initialize super end # create/add to entry from uris or Redland::Resources # TODO add tuple 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? #puts uri 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 # find or create a new value and return the resource =begin def find_or_create_value(v) value = @model.subject OT["value"], v.to_s if value.nil? value = @model.create_resource @model.add value, RDF['type'], OT["FeatureValue"] @model.add value, OT["value"], v.to_s end value end =end =begin def add_data_entry(compound,feature,value) data_entry = @model.create_resource @model.add data_entry, RDF['type'], OT["DataEntry"] @model.add data_entry, OT['compound'], compound @model.add data_entry, OT['feature'], feature @model.add data_entry, OT['values'], value end =end def self.create(data, content_type = 'application/rdf+xml') uri = RestClient.post @@config[:services]["opentox-dataset"], data, :content_type => content_type dataset = Dataset.new dataset.read uri.to_s dataset end def self.find(uri) begin RestClient.get uri, :accept => 'application/rdf+xml' # check if the resource is available dataset = Dataset.new dataset.read uri.to_s 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_entries data_entries = {} self.compounds.each do |compound| compound_node = @model.subject(DC["identifier"],compound) compound = compound.to_s.sub(/^\[(.*)\]$/,'\1') data_entries[compound] = {} unless data_entries[compound] @model.subjects(OT['compound'], compound_node).each do |data_entry| feature_node = @model.object(data_entry, OT['feature']) feature = @model.object(feature_node,DC['identifier']).to_s values_node = @model.object(data_entry, OT['values']) data_entries[compound][feature] = [] unless data_entries[compound][feature] @model.find(values_node, OT['value'], nil) do |s,p,value| case value.to_s when "true" data_entries[compound][feature] << true when "false" data_entries[compound][feature] << false else data_entries[compound][feature] << value.to_s end end end end data_entries 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(/^\[(.*)\]$/,'\1') features[compound] = [] unless features[compound] @model.subjects(OT['compound'], compound_node).each do |data_entry| if feature == @model.object(data_entry, OT['feature']) values_node = @model.object(data_entry, OT['values']) @model.find(values_node, OT['value'], nil) do |s,p,value| case value.to_s when "true" features[compound] << true when "false" features[compound] << false else features[compound] << value.to_s end end end end end features end def tuples tuples = [] @model.subjects(RDF['type'], OT["Tuple"]).each do |t| tuple = {} compounds = [] @model.subjects(OT['values'], t).each do |data_entry| compound_node = @model.object(data_entry,OT['compound']) compounds << @model.object(compound_node, DC["identifier"]).to_s end @model.find(t, OT['tuple'],nil) do |s,p,pair| feature_node = @model.object(pair, OT['feature']) feature_name = @model.object(feature_node, DC['title']).to_s value_node = @model.object(pair, OT['value']) value = @model.object(value_node, OT['value']).to_s value = value.to_f if value.match(/^[\d\.]+$/) tuple[feature_name.to_sym] = value end tuple[:compounds] = compounds tuples << tuple end tuples end def tuple(compound_uri) compound_node = @model.subject(DC["identifier"],compound_uri) #puts compound_uri @model.subjects(OT['compound'], compound_node).each do |data_entry| values_node = @model.object(data_entry, OT['values']) @model.find(values_node, OT['tuple'], nil) do |s,p,tuple| @model.find(tuple, OT['feature'], nil) do |s,p,feature| name = @model.object(feature,DC['title']).to_s #puts name end end #puts values_node end end def compounds compounds = [] @model.subjects(RDF['type'], OT["Compound"]).each do |compound_node| compounds << @model.object(compound_node, DC["identifier"])# end compounds end # Delete a dataset def delete RestClient.delete @uri end def save RestClient.post(@@config[:services]["opentox-dataset"], self.rdf, :content_type => "application/rdf+xml").to_s end def to_yaml #compounds.each do |c| #end { :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 }, #:data_entries => self.data_entries, =begin :tuples => self.compounds.collect{|c| compound_uri = c.to_s.to_s.sub(/^\[(.*)\]$/,'\1') {compound_uri => self.tuple(compound_uri)} }, =end #:feature_values => self.features.collect{|f| { f.to_s => self.feature_values(f.to_s)} } }.to_yaml end end end =begin def tuple?(t) statements = [] has_tuple = true t.each do |name,v| feature = self.find_or_create_feature(:name => name) value = self.find_or_create_value(v) tuple = @model.subject(feature,value) has_tuple = false if tuple.nil? statements << [tuple,feature,value] end tuples_found = statements.collect{|s| s[0]}.uniq has_tuple = false unless tuples_found.size == 1 has_tuple end def find_or_create_tuple(t) if self.tuple?(t) t else self.create_tuple(t) end end =end