module OpenTox module Import class Enanomapper include OpenTox # time critical step: JSON parsing (>99%), Oj brings only minor speed gains (~1%) def self.import datasets = {} bundles = JSON.parse(RestClientWrapper.get('https://data.enanomapper.net/bundle?media=application%2Fjson'))["dataset"] bundles.each do |bundle| datasets[bundle["URI"]] = Dataset.find_or_create_by(:source => bundle["URI"],:name => bundle["title"].strip) $logger.debug bundle["title"].strip nanoparticles = JSON.parse(RestClientWrapper.get(bundle["dataset"]+"?media=application%2Fjson"))["dataEntry"] nanoparticles.each_with_index do |np,n| core_id = nil coating_ids = [] np["composition"].each do |c| uri = c["component"]["compound"]["URI"] uri = CGI.escape File.join(uri,"&media=application/json") data = JSON.parse(RestClientWrapper.get "https://data.enanomapper.net/query/compound/url/all?media=application/json&search=#{uri}") smiles = data["dataEntry"][0]["values"]["https://data.enanomapper.net/feature/http%3A%2F%2Fwww.opentox.org%2Fapi%2F1.1%23SMILESDefault"] names = [] names << data["dataEntry"][0]["values"]["https://data.enanomapper.net/feature/http%3A%2F%2Fwww.opentox.org%2Fapi%2F1.1%23ChemicalNameDefault"] names << data["dataEntry"][0]["values"]["https://data.enanomapper.net/feature/http%3A%2F%2Fwww.opentox.org%2Fapi%2F1.1%23IUPACNameDefault"] if smiles compound = Compound.find_or_create_by(:smiles => smiles) compound.name = names.first compound.names = names.compact else compound = Compound.find_or_create_by(:name => names.first,:names => names.compact) end compound.save if c["relation"] == "HAS_CORE" core_id = compound.id.to_s elsif c["relation"] == "HAS_COATING" coating_ids << compound.id.to_s end end if np["composition"] nanoparticle = Nanoparticle.find_or_create_by( :name => np["values"]["https://data.enanomapper.net/identifier/name"], :source => np["compound"]["URI"], :core_id => core_id, :coating_ids => coating_ids ) np["bundles"].keys.each do |bundle_uri| nanoparticle.dataset_ids << datasets[bundle_uri].id end studies = JSON.parse(RestClientWrapper.get(File.join(np["compound"]["URI"],"study")))["study"] studies.each do |study| dataset = datasets[np["bundles"].keys.first] proteomics_features = {} category = study["protocol"]["topcategory"] source = study["protocol"]["category"]["term"] study["effects"].each do |effect| effect["result"]["textValue"] ? klass = NominalFeature : klass = NumericFeature effect["conditions"].delete_if { |k, v| v.nil? } if study["protocol"]["category"]["title"].match(/Proteomics/) and effect["result"]["textValue"] and effect["result"]["textValue"].length > 50 # parse proteomics data JSON.parse(effect["result"]["textValue"]).each do |identifier, value| # time critical step proteomics_features[identifier] ||= NumericFeature.find_or_create_by(:name => identifier, :category => "Proteomics", :unit => "Spectral counts", :source => source,:measured => true) nanoparticle.parse_ambit_value proteomics_features[identifier], value, dataset end else name = effect["endpoint"] unit = effect["result"]["unit"] warnings = [] case name when "Log2 transformed" # use a sensible name name = "log2(Net cell association)" warnings = ["Original name was 'Log2 transformed'"] unit = "log2(mL/ug(Mg))" when "Total protein (BCA assay)" category = "P-CHEM" warnings = ["Category changed from TOX to P-CHEM"] end feature = klass.find_or_create_by( :name => name, :unit => unit, :category => category, :conditions => effect["conditions"], :source => study["protocol"]["category"]["term"], :measured => true, :warnings => warnings ) nanoparticle.parse_ambit_value feature, effect["result"], dataset end end end nanoparticle.save print "#{n}, " end puts end datasets.each { |u,d| d.save } end =begin def self.import_ld # defunct, AMBIT JSON_LD does not have substance entries #get list of bundle URIs bundles = JSON.parse(RestClientWrapper.get('https://data.enanomapper.net/bundle?media=application%2Fjson'))["dataset"] datasets = [] bundles.each do |bundle| uri = bundle["URI"] study = JSON.parse(`curl -H 'Accept:application/ld+json' '#{uri}/substance'`) study["@graph"].each do |i| puts i.to_yaml if i.keys.include? "sio:has-value" end end datasets.collect{|d| d.id} end =end end end end