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authorgebele <gebele@in-silico.ch>2017-08-14 11:19:37 +0000
committergebele <gebele@in-silico.ch>2017-08-14 11:19:37 +0000
commitb2b9cc5d14d10a62025486c5b3abbbeb06bf0ec6 (patch)
treeb7a53a54fab65652a2b67d2cc6946810238ec6fb /test/compound.rb
parentd04c3e870daaf6e42d08c8f8d32ab2f430e23b98 (diff)
parent6136efbd4066aeeb569424fbba619523ee038f95 (diff)
bumped version
Diffstat (limited to 'test/compound.rb')
-rw-r--r--test/compound.rb4
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