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| author | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-29 20:34:39 +0100 |
|---|---|---|
| committer | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-29 20:34:39 +0100 |
| commit | d9c9d78e49d886ea91386adbbd2b523347df226e (patch) | |
| tree | 6f728c82ca01b6a19d8e4aa1905e26bea9253f33 /test/compound.rb | |
| parent | 5e9a08c0b534fa96179fb5c81a9b4193e7b0aad8 (diff) | |
dataset predictions fixed
Diffstat (limited to 'test/compound.rb')
| -rw-r--r-- | test/compound.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/test/compound.rb b/test/compound.rb index 69ad21e..44e47f1 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -74,7 +74,7 @@ class CompoundTest < MiniTest::Test end def test_openbabel_segfault - inchi = "InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19?/m1/s1" + inchi = "InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/t11-,12-,14-,18-,19?/m1/s1" c = Compound.from_inchi(inchi) assert_equal inchi, c.inchi |