diff options
Diffstat (limited to 'test/data/gui_models/lazar-physchem_FHM_OB.rb')
| -rw-r--r-- | test/data/gui_models/lazar-physchem_FHM_OB.rb | 15 |
1 files changed, 15 insertions, 0 deletions
diff --git a/test/data/gui_models/lazar-physchem_FHM_OB.rb b/test/data/gui_models/lazar-physchem_FHM_OB.rb new file mode 100644 index 0000000..ee3dc53 --- /dev/null +++ b/test/data/gui_models/lazar-physchem_FHM_OB.rb @@ -0,0 +1,15 @@ +require_relative "setup.rb" + +class LazarPhyschemDescriptorTest < MiniTest::Test + + def test_lazar_pc_descriptors + dataset = OpenTox::Dataset.new + dataset.upload File.join(DATA_DIR, "gui_models", "EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50-mmol.csv") + puts dataset.uri + +#OB + model_uri = OpenTox::Model::Lazar.create :dataset_uri => dataset.uri, :feature_generation_uri => File.join($algorithm[:uri],"descriptor","physchem"), :descriptors => ["Openbabel.HBA1", "Openbabel.HBA2", "Openbabel.HBD", "Openbabel.L5", "Openbabel.MP", "Openbabel.MR", "Openbabel.MW", "Openbabel.TPSA", "Openbabel.abonds", "Openbabel.atoms", "Openbabel.bonds", "Openbabel.dbonds", "Openbabel.logP", "Openbabel.nF", "Openbabel.sbonds", "Openbabel.tbonds" ] + + puts model_uri + end +end |