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#!/usr/bin/env ruby
# merge datasets
hansen = Dataset.from_csv_file File.join(parts,"hansen.csv")
efsa = Dataset.from_csv_file File.join(parts,"efsa.csv")
kazius = Dataset.from_sdf_file File.join(parts,"cas_4337.sdf")
datasets = [hansen,efsa,kazius]
map = {"mutagen" => "mutagenic", "nonmutagen" => "non-mutagenic"}
dataset = Dataset.merge datasets: datasets, features: datasets.collect{|d| d.bioactivity_features.first}, value_maps: [nil,nil,map], keep_original_features: false, remove_duplicates: true
dataset.merged_features.first.name = "Mutagenicity"
File.open(File.join(DATA,"Mutagenicity-Salmonella_typhimurium.csv"),"w+"){|f| f.puts dataset.to_training_csv}
meta = {
:species => "Salmonella typhimurium",
:endpoint => "Mutagenicity",
:source => [kazius_url,hansen_url,efsa_url].join(", "),
:qmrf => { "group": "QMRF 4.10. Mutagenicity", "name": "OECD 471 Bacterial Reverse Mutation Test"},
}
File.open(File.join(DATA,"Mutagenicity-Salmonella_typhimurium.json"),"w+"){|f| f.puts meta.to_json}
# cleanup
datasets << dataset
datasets.each{|d| d.delete }
File.join(DATA,"Mutagenicity-Salmonella_typhimurium.csv")
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