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authorChristoph Helma <helma@in-silico.ch>2015-08-24 12:17:07 +0200
committerChristoph Helma <helma@in-silico.ch>2015-08-24 12:17:07 +0200
commit8c6c59980bc82dc2177147f2fe34adf8bfbc1539 (patch)
tree35fb78389a9ac2d54d4d2190c41a8269a754f205 /test/compound.rb
parent398d8ca681db3aa0a0552eee026705e60dd8449d (diff)
Model::Prediction with tests, initial indexesv0.0.8
Diffstat (limited to 'test/compound.rb')
-rw-r--r--test/compound.rb4
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