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Diffstat (limited to 'compound.rb')
-rw-r--r-- | compound.rb | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/compound.rb b/compound.rb index 048e012..5165f31 100644 --- a/compound.rb +++ b/compound.rb @@ -39,4 +39,8 @@ class CompoundTest < Test::Unit::TestCase assert_equal "CCC=C(CC)N(=O)=O", c.to_smiles end + def test_match_hits + c = OpenTox::Compound.from_smiles "N=C=C1CCC(=F=FO)C1" + assert_equal ({"FF"=>2, "CC"=>10, "C"=>6, "C1CCCC1"=>10, "C=C"=>2}), c.match_hits(['CC','F=F','C','C=C','FF','C1CCCC1','OO']) + end end |