1 files changed, 21 insertions, 0 deletions
diff --git a/test/test_openbabel.rb b/test/test_openbabel.rb
new file mode 100644
index 0000000..40f0cf9
--- /dev/null
+++ b/test/test_openbabel.rb
@@ -0,0 +1,21 @@
+require 'test/unit'
+require 'openbabel'
+include OpenBabel
+
+class OBTest < Test::Unit::TestCase
+  def test_obmol
+    # Code from http://goo.gl/9H1LZ
+
+    smi2mol = OBConversion.new
+    smi2mol.set_in_format("smi")
+
+    mol = OBMol.new
+    smi2mol.read_string(mol, 'CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C') # cholesterol, no chirality
+    mol.add_hydrogens
+
+    assert_equal(mol.num_atoms, 74)
+    assert_in_delta(mol.get_mol_wt, 386.65, 0.1)
+    assert_equal(mol.get_formula, "C27H46O")
+
+  end
+end