diff options
Diffstat (limited to 'test/compound.rb')
| -rw-r--r-- | test/compound.rb | 4 |
1 files changed, 3 insertions, 1 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 |