From 2fdecbed76c4db8dfe3f10f825fed9772e653197 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Wed, 16 Sep 2015 16:52:18 +0200
Subject: generic openbabel fingerprints

---
 test/compound.rb | 11 +++++++++++
 1 file changed, 11 insertions(+)

(limited to 'test')

diff --git a/test/compound.rb b/test/compound.rb
index 06c19a2..6deba4e 100644
--- a/test/compound.rb
+++ b/test/compound.rb
@@ -97,4 +97,15 @@ print c.sdf
     c = Compound.from_inchi(inchi)
     assert_equal inchi, c.inchi
   end
+
+  def test_openbabel_fingerprint
+    [
+      "CC(=O)CC(C)C#N",
+      "CC(=O)CC(C)C",
+      "C(=O)CC(C)C#N",
+    ].each do |smi|
+      c = OpenTox::Compound.from_smiles smi
+      assert_equal c.openbabel_fingerprint("FP4").size, c.fp4.size
+    end
+  end
 end
-- 
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