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| author | Christoph Helma <helma@in-silico.ch> | 2016-10-13 10:11:09 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-10-13 10:11:09 +0200 |
| commit | 8d325866dd7cacdd04bd2306a9144a5e7300c7c8 (patch) | |
| tree | 5e730f20a26e58e41cdff9c22bd5647c886ca834 /test/regression.rb | |
| parent | 1810b12e7faf2f0677482a3c7a8c23e0e11b8d29 (diff) | |
molecular_weight fixed
Diffstat (limited to 'test/regression.rb')
| -rw-r--r-- | test/regression.rb | 5 |
1 files changed, 1 insertions, 4 deletions
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" |