split compound tests

1 files changed, 16 insertions, 3 deletions

diff --git a/compound.rb b/compound.rb
index ef87845..048e012 100644
--- a/compound.rb
+++ b/compound.rb
@@ -4,26 +4,39 @@ require 'test/unit'
 
 class CompoundTest < Test::Unit::TestCase
 
-  def test_compound
-
+  def test_compound_from_smiles_0
     c = OpenTox::Compound.from_smiles "F[B-](F)(F)F.[Na+]"
     assert_equal "InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1", c.inchi
     #assert_equal "[Na+].F[B-](F)(F)F", c.smiles # still does not work on 64bit machines
+  end
+
+  def test_compound_from_smiles_1
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N"
     assert_equal "InChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h5H,3H2,1-2H3", c.inchi
     assert_equal "CC(CC(=O)C)C#N", c.to_smiles
+  end
+
+  def test_compound_from_name
     c = OpenTox::Compound.from_name "Benzene"
     assert_equal "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", c.inchi
     assert_equal "c1ccccc1", c.to_smiles
+  end
+
+  def test_compound_from_smiles_2  
     c = OpenTox::Compound.from_smiles "N#[N+]C1=CC=CC=C1.F[B-](F)(F)F"
     assert_equal "InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1", c.inchi
     assert_equal "N#[N+]c1ccccc1.F[B-](F)(F)F", c.to_smiles
+  end
+
+  def test_compound_from_inchi
     c = OpenTox::Compound.from_inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
     assert_equal "c1ccccc1", c.to_smiles
+  end
+
+  def test_compound_ambit
     c = OpenTox::Compound.new "http://apps.ideaconsult.net:8080/ambit2/compound/144036"
     assert_equal "InChI=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9/h5H,3-4H2,1-2H3", c.inchi
     assert_equal "CCC=C(CC)N(=O)=O", c.to_smiles
   end
 
-
 end