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author | Christoph Helma <helma@in-silico.ch> | 2015-08-24 12:17:07 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2015-08-24 12:17:07 +0200 |
commit | 8c6c59980bc82dc2177147f2fe34adf8bfbc1539 (patch) | |
tree | 35fb78389a9ac2d54d4d2190c41a8269a754f205 /test/compound.rb | |
parent | 398d8ca681db3aa0a0552eee026705e60dd8449d (diff) |
Model::Prediction with tests, initial indexesv0.0.8
Diffstat (limited to 'test/compound.rb')
-rw-r--r-- | test/compound.rb | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/test/compound.rb b/test/compound.rb index 7265ef5..06c19a2 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -54,7 +54,6 @@ print c.sdf def test_inchikey c = OpenTox::Compound.from_inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - p c assert_equal "UHOVQNZJYSORNB-UHFFFAOYSA-N", c.inchikey end @@ -88,7 +87,8 @@ print c.sdf refute_nil c.fp4 end c = d.compounds[371] - assert c.neighbors.size >= 19 + n = c.neighbors + assert n.size >= 18, "Neighbors size (#{n.size}) should be larger than 17" end def test_openbabel_segfault |