From 2d4ce39cb1b489e26b0d6d96026054566a4f77b9 Mon Sep 17 00:00:00 2001 From: "helma@in-silico.ch" Date: Tue, 30 Oct 2018 21:11:04 +0100 Subject: dataset merge --- test/use_cases.rb | 17 ++++++++++++----- 1 file changed, 12 insertions(+), 5 deletions(-) (limited to 'test/use_cases.rb') diff --git a/test/use_cases.rb b/test/use_cases.rb index 15e65a3..4959f16 100644 --- a/test/use_cases.rb +++ b/test/use_cases.rb @@ -3,18 +3,25 @@ require_relative "setup.rb" class UseCasesTest < MiniTest::Test def test_PA - skip kazius = Dataset.from_sdf_file "#{DATA_DIR}/cas_4337.sdf" hansen = Dataset.from_csv_file "#{DATA_DIR}/hansen.csv" efsa = Dataset.from_csv_file "#{DATA_DIR}/efsa.csv" datasets = [kazius,hansen,efsa] - map = {"true" => "carcinogen", "false" => "non-carcinogen"} + map = {"1" => "mutagen", "0" => "nonmutagen"} + p "merging" training_dataset = Dataset.merge datasets: datasets, features: datasets.collect{|d| d.bioactivity_features.first}, value_maps: [nil,map,map], keep_original_features: false, remove_duplicates: true - model = Model::Validation.create training_dataset: training_dataset, species: "Salmonella typhimurium", endpoint: "Mutagenicity" + assert_equal 8281, training_dataset.compounds.size + p training_dataset.features.size + p training_dataset.id + training_dataset = Dataset.find('5bd8ac8fca62695d767fca6b') + p "create model_validation" + model_validation = Model::Validation.from_dataset training_dataset: training_dataset, prediction_feature: training_dataset.merged_features.first, species: "Salmonella typhimurium", endpoint: "Mutagenicity" + p model_validation.id + p "predict" pa = Dataset.from_sdf_file "#{DATA_DIR}/PA.sdf" - prediction_dataset = model.predict pa + prediction_dataset = model_dataset.predict pa + p prediction_dataset.id puts prediction_dataset.to_csv - assert_equal 8281, d.compounds.size end def test_public_models -- cgit v1.2.3