diff options
| author | gebele <gebele@in-silico.ch> | 2015-02-17 12:59:07 +0100 |
|---|---|---|
| committer | gebele <gebele@in-silico.ch> | 2015-02-17 12:59:07 +0100 |
| commit | 257fa2b784084b9359cac52fb99528ea5209f919 (patch) | |
| tree | 694ea58f87df7fac2e7c909c7bc8145c5cd4f316 | |
| parent | 66b4d8b52dbb6ba1855e630f2c1f1c9469aa2c89 (diff) | |
fixed new ambit url; adopted new CHEMBL ID
| -rw-r--r-- | test/compound.rb | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/test/compound.rb b/test/compound.rb index 4336a32..47a0aed 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -39,7 +39,7 @@ class CompoundTest < MiniTest::Test end def test_compound_ambit - c = OpenTox::Compound.new "http://apps.ideaconsult.net:8080/ambit2/compound/144036" + c = OpenTox::Compound.new "https://apps.ideaconsult.net/ambit2/compound/144036" assert_equal "InChI=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9/h5H,3-4H2,1-2H3", c.inchi assert_equal "CCC=C(CC)[N+](=O)[O-]", c.smiles end @@ -71,7 +71,8 @@ class CompoundTest < MiniTest::Test 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 "CHEMBL277500", c.chemblid + assert_equal "CHEMBL581676", c.chemblid end end |