From 8d325866dd7cacdd04bd2306a9144a5e7300c7c8 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 13 Oct 2016 10:11:09 +0200 Subject: molecular_weight fixed --- test/regression.rb | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) (limited to 'test/regression.rb') diff --git a/test/regression.rb b/test/regression.rb index aad4195..b1051f1 100644 --- a/test/regression.rb +++ b/test/regression.rb @@ -22,10 +22,7 @@ class LazarRegressionTest < MiniTest::Test def test_mpd_fingerprints training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi_log10.csv" algorithms = { - :descriptors => { - :method => "fingerprint", - :type => "MP2D" - } + :descriptors => [ "MP2D" ] } model = Model::Lazar.create training_dataset: training_dataset, algorithms: algorithms compound = Compound.from_smiles "CCCSCCSCC" -- cgit v1.2.3