diff options
Diffstat (limited to 'test')
| -rw-r--r-- | test/compound.rb | 4 | ||||
| -rw-r--r-- | test/setup.rb | 4 |
2 files changed, 5 insertions, 3 deletions
diff --git a/test/compound.rb b/test/compound.rb index bdfb749..c4e6161 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -61,7 +61,9 @@ print c.sdf def test_chemblid c = OpenTox::Compound.from_inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - assert_equal "CHEMBL277500", c.chemblid + assert_equal "CHEMBL1531487", c.chemblid + c = OpenTox::Compound.from_smiles "OC[C@](c1onc(n1)c1ncn2c1CN(C)C(=O)c1c2cccc1Cl)(O)C" + assert_equal "CHEMBL145418", c.chemblid end def test_sdf_storage diff --git a/test/setup.rb b/test/setup.rb index c1cddfb..fbeb2d8 100644 --- a/test/setup.rb +++ b/test/setup.rb @@ -3,8 +3,8 @@ require 'minitest/autorun' require_relative '../lib/lazar.rb' #require 'lazar' include OpenTox -#$mongo.database.drop -#$gridfs = $mongo.database.fs # recreate GridFS indexes +$mongo.database.drop +$gridfs = $mongo.database.fs # recreate GridFS indexes TEST_DIR ||= File.expand_path(File.dirname(__FILE__)) DATA_DIR ||= File.join(TEST_DIR,"data") training_dataset = Dataset.where(:name => "Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles").first |