compound tests fixed

1 files changed, 2 insertions, 13 deletions

diff --git a/test/compound.rb b/test/compound.rb
index 19f51fd..bdfb749 100644
--- a/test/compound.rb
+++ b/test/compound.rb
@@ -111,20 +111,9 @@ print c.sdf
     assert_equal 100.15888, c.molecular_weight
   end
 
-  def test_mg_conversions
-    # TODO fix!
-    skip
-    c = OpenTox::Compound.from_smiles "O"
-    mw = c.molecular_weight
-    assert_equal 18.01528, mw
-    assert_equal 0.8105107141417474, c.logmmol_to_mg(4.34688225631145, mw)
-    assert_equal 9007.64, c.mmol_to_mg(500, mw)
-    assert_equal 2437.9999984148976, c.logmg_to_mg(3.387033701)
-  end
-
   def test_physchem
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C"
-    assert_equal PhysChem::OPENBABEL.size, c.properties.size
-    assert_equal PhysChem::OPENBABEL.size, c.properties([PhysChem::OPENBABEL]).size
+    properties = c.calculate_properties(PhysChem.openbabel_descriptors)
+    assert_equal PhysChem::OPENBABEL.size, properties.size
   end
 end