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require 'spreadsheet'
require 'yajl'
module OpenTox
module Serializer
# modelled according to to http://n2.talis.com/wiki/RDF_JSON_Specification
class Owl
attr_accessor :object
def initialize
@object = {
# this should come from opntox.owl
OT.Compound => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.Feature => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.NominalFeature => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.NumericFeature => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.StringFeature => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.Dataset => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.DataEntry => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.FeatureValue => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.Algorithm => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.Parameter => { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } ,
OT.compound => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
OT.feature => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
OT.dataEntry => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
OT.acceptValue => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
OT.values => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
#XSD.anyUri => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
OT.algorithm => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
OT.parameters => { RDF["type"] => [{ "type" => "uri", "value" => OWL.ObjectProperty }] } ,
DC.title => { RDF["type"] => [{ "type" => "uri", "value" => OWL.AnnotationProperty }] } ,
DC.identifier => { RDF["type"] => [{ "type" => "uri", "value" => OWL.AnnotationProperty }] } ,
DC.contributor => { RDF["type"] => [{ "type" => "uri", "value" => OWL.AnnotationProperty }] } ,
DC.creator => { RDF["type"] => [{ "type" => "uri", "value" => OWL.AnnotationProperty }] } ,
OT.isA => { RDF["type"] => [{ "type" => "uri", "value" => OWL.AnnotationProperty }] } ,
OT.hasSource => { RDF["type"] => [{ "type" => "uri", "value" => OWL.DatatypeProperty }] } ,
OT.value => { RDF["type"] => [{ "type" => "uri", "value" => OWL.DatatypeProperty }] } ,
OT.paramScope => { RDF["type"] => [{ "type" => "uri", "value" => OWL.DatatypeProperty }] } ,
OT.paramValue => { RDF["type"] => [{ "type" => "uri", "value" => OWL.DatatypeProperty }] } ,
#Untyped Individual: http://localhost/algorithm
}
@data_entries = {}
@values_id = 0
@parameter_id = 0
@classes = Set.new
@object_properties = Set.new
@annotation_properties = Set.new
@datatype_properties = Set.new
@objects = Set.new
end
def add_compound(uri)
#@classes << OT.Compound unless @classes.include? OT.Compound
@object[uri] = { RDF["type"] => [{ "type" => "uri", "value" => OT.Compound }] }
end
def add_feature(uri,metadata)
#@classes << OT.Feature unless @classes.include? OT.Feature
#@classes << OT.NominalFeature unless @classes.include? OT.NominalFeature
#@classes << OT.NumericFeature unless @classes.include? OT.NumericFeature
#@classes << OT.StringFeature unless @classes.include? OT.StringFeature
@object[uri] = { RDF["type"] => [{ "type" => "uri", "value" => OT.Feature }] }
add_metadata uri, metadata
end
def add_dataset(dataset)
@dataset = dataset.uri
@object[dataset.uri] = { RDF["type"] => [{ "type" => "uri", "value" => OT.Dataset }] }
add_metadata dataset.uri, dataset.metadata
dataset.compounds.each { |compound| add_compound compound }
dataset.features.each { |feature,metadata| add_feature feature,metadata }
dataset.data_entries.each do |compound,entry|
entry.each do |feature,values|
values.each { |value| add_data_entry compound,feature,value }
end
end
end
def add_algorithm(uri,metadata,parameters)
@object[uri] = { RDF["type"] => [{ "type" => "uri", "value" => OT.Algorithm }] }
add_metadata uri, metadata
add_parameters uri, parameters
#metadata.each { |u,v| @object[uri][u] = [{"type" => type(v), "value" => v }] }
end
def add_model(uri,metadata)
end
def add_metadata(uri,metadata)
#@object[uri] = { RDF["type"] => [{ "type" => "uri", "value" => OT[type] }] }
metadata.each do |u,v|
@object[uri][u] = [{"type" => type(v), "value" => v }]
end
end
def add_parameters(uri,parameters)
#@object[uri] = { RDF["type"] => [{ "type" => "uri", "value" => OT[type] }] }
@object[uri][OT.parameters] = [] unless @object[uri][OT.parameters]
parameters.each do |p|
parameter = "_:parameter#{@parameter_id}"
@parameter_id += 1
@object[uri][OT.parameters] << {"type" => "bnode", "value" => parameter}
@object[parameter] = { RDF["type"] => [{ "type" => "uri", "value" => OT.Parameter }] }
add_metadata parameter, p
end
end
def add_data_entry(compound,feature,value)
add_compound(compound) unless @object[compound]
add_feature(feature,{}) unless @object[feature]
unless data_entry = @data_entries[compound]
data_entry = "_:dataentry#{@data_entries.size}"
@data_entries[compound] = data_entry
@object[@dataset][OT.dataEntry] = [] unless @object[@dataset][OT.dataEntry]
@object[@dataset][OT.dataEntry] << {"type" => "bnode", "value" => data_entry}
@object[data_entry] = {
RDF["type"] => [{ "type" => "uri", "value" => OT.DataEntry }],
OT.compound => [{ "type" => "uri", "value" => compound }],
OT.values => [],
}
end
values = "_:values#{@values_id}"
@values_id += 1
@object[data_entry][OT.values] << {"type" => "bnode", "value" => values}
case type(value)
when "uri"
v = [{ "type" => "uri", "value" => value}]
when "literal"
v = [{ "type" => "literal", "value" => value, "datatype" => datatype(value) }]
else
raise "Illegal type #{type(value)} for #{value}."
end
@object[values] = {
RDF["type"] => [{ "type" => "uri", "value" => OT.FeatureValue }],
OT.feature => [{ "type" => "uri", "value" => feature }],
OT.value => v
}
@object[feature][RDF["type"]] << { "type" => "uri", "value" => featuretype(value) }
end
# Serializers
def ntriples
#rdf_types
@triples = Set.new
@object.each do |s,entry|
s = url(s) if type(s) == "uri"
entry.each do |p,objects|
p = url(p)
objects.each do |o|
case o["type"]
when "uri"
o = url(o["value"])
when "literal"
o = literal(o["value"],datatype(o["value"]))
when "bnode"
o = o["value"]
end
@triples << [s,p,o]
end
end
end
@triples.sort.collect{ |s| s.join(' ').concat(" .") }.join("\n")+"\n"
end
def rdfxml
Tempfile.open("owl-serializer"){|f| f.write(ntriples); @path = f.path}
`rapper -i ntriples -o rdfxml #{@path}`
end
def json
#rdf_types
Yajl::Encoder.encode(@object)
end
# Helpers for type detection
private
def datatype(value)
if value.is_a? TrueClass or value.is_a? FalseClass
XSD.boolean
elsif value.is_a? Float
XSD.float
else
XSD.string
end
end
def featuretype(value)
if value.is_a? TrueClass or value.is_a? FalseClass
datatype = OT.NominalFeature
elsif value.is_a? Float
datatype = OT.NumericFeature
else
datatype = OT.StringFeature
end
end
def type(value)
begin
uri = URI.parse(value)
if uri.class == URI::HTTP or uri.class == URI::HTTPS
"uri"
elsif value.match(/^_/)
"bnode"
else
"literal"
end
rescue
"literal"
end
end
def literal(value,type)
# concat and << are faster string concatination operators than +
'"'.concat(value.to_s).concat('"^^<').concat(type).concat('>')
end
def url(uri)
# concat and << are faster string concatination operators than +
'<'.concat(uri).concat('>')
end
def rdf_types
@classes.each { |c| @object[c] = { RDF["type"] => [{ "type" => "uri", "value" => OWL['Class'] }] } }
@object_properties.each { |p| @object[p] = { RDF["type"] => [{ "type" => "uri", "value" => OWL['ObjectProperty'] }] } }
@annotation_properties.each { |a| @object[a] = { RDF["type"] => [{ "type" => "uri", "value" => OWL['AnnotationProperty'] }] } }
@datatype_properties.each { |d| @object[d] = { RDF["type"] => [{ "type" => "uri", "value" => OWL['DatatypeProperty'] }] } }
end
end
class Spreadsheets # to avoid nameclash with Spreadsheet gem
def initialize(dataset)
@rows = []
@rows << ["SMILES"]
features = dataset.features.keys
@rows.first << features
@rows.first.flatten!
dataset.data_entries.each do |compound,entries|
smiles = Compound.new(compound).smiles
row = Array.new(@rows.first.size)
row[0] = smiles
entries.each do |feature, values|
i = features.index(feature)+1
values.each do |value|
row[i] = value #TODO overwrites duplicated values
end
end
@rows << row
end
end
def csv
@rows.collect{|r| r.join(", ")}.join("\n")
end
def excel
Spreadsheet.client_encoding = 'UTF-8'
book = Spreadsheet::Workbook.new
sheet = book.create_worksheet(:name => '')
sheet.column(0).width = 100
i = 0
@rows.each do |row|
row.each do |c|
sheet.row(i).push c
end
i+=1
end
book
end
end
end
end
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