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-rwxr-xr-xscripts/test-validation.rb32
1 files changed, 8 insertions, 24 deletions
diff --git a/scripts/test-validation.rb b/scripts/test-validation.rb
index 0bbcc42..5c07449 100755
--- a/scripts/test-validation.rb
+++ b/scripts/test-validation.rb
@@ -1,26 +1,10 @@
-require_relative "include.rb"
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
-test = Dataset.from_csv_file(File.join(DATA,"test.csv"))
+test = Dataset.from_csv_file(File.join("data","test_log10.csv"))
+train = Dataset.from_csv_file(File.join("data","training_log10.csv"))
-file = File.join(DATA,ARGV[0])
-dataset = Dataset.from_csv_file file
-model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_fingerprint_regression")
-#model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression")
-#model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_weighted_average")
-validation = RegressionValidation.create model, dataset, test
-csv_file = file.sub(".csv","-test-predictions.csv")
-id_file = file.sub(".csv","-test-predictions.id")
-File.open(id_file,"w+"){|f| f.puts validation.id}
-name = File.basename(ARGV[0],".csv")
-
-data = []
-validation.predictions.each do |p|
- data << [Compound.find(p[0]).smiles, p[1].median, p[2], p[3],"#{name}-prediction"]
-end
-
-data.sort!{|a,b| a[1] <=> b[1]}
-
-CSV.open(csv_file,"w+") do |csv|
- csv << ["SMILES","LOAEL_measured_median","LOAEL_predicted","RMSE","Dataset"]
- data.each{|r| csv << r}
-end
+model = Model::LazarRegression.create(training_dataset: train)
+validation = Validation::TrainTest.create model, train, test
+puts validation.id