compound and descriptor tests fixed

1 files changed, 7 insertions, 7 deletions

diff --git a/test/descriptor.rb b/test/descriptor.rb
index cd0c1ff..2a5be60 100644
--- a/test/descriptor.rb
+++ b/test/descriptor.rb
@@ -28,34 +28,34 @@ class DescriptorTest < MiniTest::Test
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N"
     PhysChem.openbabel_descriptors # required for descriptor initialisation, TODO: move into libs
     PhysChem.find_or_create_by(:name => "Openbabel.logP")
-    result = c.physchem [PhysChem.find_or_create_by(:name => "Openbabel.logP")]
+    result = c.calculated_physchem [PhysChem.find_or_create_by(:name => "Openbabel.logP")]
     assert_equal 1.12518, result.first.last.round(5)
   end
 
   def test_compound_cdk_single
     PhysChem.cdk_descriptors # required for descriptor initialisation, TODO: move into libs
     c = OpenTox::Compound.from_smiles "c1ccccc1"
-    result = c.physchem [PhysChem.find_or_create_by(:name => "Cdk.AtomCount.nAtom")]
+    result = c.calculated_physchem [PhysChem.find_or_create_by(:name => "Cdk.AtomCount.nAtom")]
     assert_equal 12, result.first.last
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N"
-    result = c.physchem [PhysChem.find_or_create_by(:name => "Cdk.AtomCount.nAtom")]
+    result = c.calculated_physchem [PhysChem.find_or_create_by(:name => "Cdk.AtomCount.nAtom")]
     assert_equal 17, result.first.last
     c_types = {"Cdk.CarbonTypes.C1SP1"=>1, "Cdk.CarbonTypes.C2SP1"=>0, "Cdk.CarbonTypes.C1SP2"=>0, "Cdk.CarbonTypes.C2SP2"=>1, "Cdk.CarbonTypes.C3SP2"=>0, "Cdk.CarbonTypes.C1SP3"=>2, "Cdk.CarbonTypes.C2SP3"=>1, "Cdk.CarbonTypes.C3SP3"=>1, "Cdk.CarbonTypes.C4SP3"=>0}
     physchem_features = c_types.collect{|t,nr| PhysChem.find_or_create_by(:name => t)}
-    result = c.physchem physchem_features
+    result = c.calculated_physchem physchem_features
     assert_equal [1, 0, 0, 1, 0, 2, 1, 1, 0], result.values
   end
 
   def test_compound_joelib_single
     PhysChem.joelib_descriptors # required for descriptor initialisation, TODO: move into libs
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N"
-    result = c.physchem [PhysChem.find_or_create_by(:name => "Joelib.LogP")]
+    result = c.calculated_physchem [PhysChem.find_or_create_by(:name => "Joelib.LogP")]
     assert_equal 2.65908, result.first.last
   end
 
   def test_compound_all
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N"
-    result = c.physchem PhysChem.descriptors
+    result = c.calculated_physchem PhysChem.descriptors
     amr = PhysChem.find_or_create_by(:name => "Cdk.ALOGP.AMR", :library => "Cdk")
     sbonds = PhysChem.find_by(:name => "Openbabel.sbonds")
     assert_equal 30.8723, result[amr.id.to_s]
@@ -65,7 +65,7 @@ class DescriptorTest < MiniTest::Test
   def test_compound_descriptor_parameters
     PhysChem.descriptors
     c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C#N"
-    result = c.physchem [ "Openbabel.logP", "Cdk.AtomCount.nAtom", "Joelib.LogP" ].collect{|d| PhysChem.find_or_create_by(:name => d)}
+    result = c.calculated_physchem [ "Openbabel.logP", "Cdk.AtomCount.nAtom", "Joelib.LogP" ].collect{|d| PhysChem.find_or_create_by(:name => d)}
     assert_equal 3, result.size
     result.each do |fid,v|
       feature = Feature.find(fid)