diff options
| author | dv <dv@dv.de> | 2011-07-20 17:22:44 +0200 |
|---|---|---|
| committer | dv <dv@dv.de> | 2011-07-20 17:22:44 +0200 |
| commit | 10b3774101226beb1f03dd1deb76b8f2c539b9a1 (patch) | |
| tree | 30f71dbef497ce7eb26f7eb8be20b6dd3f9dcc9c /compound.rb | |
| parent | a5eb915f4c5d019ac94b7c96b51ed35d982d51b6 (diff) | |
Added test_match_hits to compound and modified test_p_sum_support
/test_tanimoto in algorithm
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 |