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author | gebele <gebele@in-silico.ch> | 2017-08-14 11:19:37 +0000 |
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committer | gebele <gebele@in-silico.ch> | 2017-08-14 11:19:37 +0000 |
commit | b2b9cc5d14d10a62025486c5b3abbbeb06bf0ec6 (patch) | |
tree | b7a53a54fab65652a2b67d2cc6946810238ec6fb /test/compound.rb | |
parent | d04c3e870daaf6e42d08c8f8d32ab2f430e23b98 (diff) | |
parent | 6136efbd4066aeeb569424fbba619523ee038f95 (diff) |
bumped version
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 |