diff options
Diffstat (limited to 'test/descriptor.rb')
| -rw-r--r-- | test/descriptor.rb | 12 |
1 files changed, 6 insertions, 6 deletions
diff --git a/test/descriptor.rb b/test/descriptor.rb index 2d6ff08..58149a7 100644 --- a/test/descriptor.rb +++ b/test/descriptor.rb @@ -5,17 +5,17 @@ class DescriptorTest < MiniTest::Test def test_list # check available descriptors @descriptors = OpenTox::Algorithm::Descriptor::DESCRIPTORS.keys - assert_equal 111,@descriptors.size,"wrong num physchem descriptors" + assert_equal 110,@descriptors.size,"wrong num physchem descriptors" @descriptor_values = OpenTox::Algorithm::Descriptor::DESCRIPTOR_VALUES - assert_equal 356,@descriptor_values.size,"wrong num physchem descriptors" + assert_equal 355,@descriptor_values.size,"wrong num physchem descriptors" sum = 0 [ @descriptors, @descriptor_values ].each do |desc| - {"Openbabel"=>16,"Cdk"=>(desc==@descriptors ? 50 : 295),"Joelib"=>45}.each do |k,v| + {"Openbabel"=>15,"Cdk"=>(desc==@descriptors ? 50 : 295),"Joelib"=>45}.each do |k,v| assert_equal v,desc.select{|x| x=~/^#{k}\./}.size,"wrong num #{k} descriptors" sum += v end end - assert_equal (111+356),sum + assert_equal (465),sum end def test_smarts @@ -59,9 +59,9 @@ class DescriptorTest < MiniTest::Test def test_compound_all c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N" result = OpenTox::Algorithm::Descriptor.physchem c - assert_equal 332, result.size + assert_equal 330, result.size assert_equal 30.8723, result[2] - assert_equal 1.12518, result[328] + assert_equal 5, result[328] end def test_compound_descriptor_parameters |