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authorrautenberg <rautenberg@in-silico.ch>2016-10-05 14:12:27 +0200
committerrautenberg <rautenberg@in-silico.ch>2016-10-05 14:12:27 +0200
commit666828fd377cacfe90ff9e5f3ee406bde4c05b6a (patch)
tree43d346657f587462d2c92104400e82830a4f1f06
parent93fac481d13068dc0e64086924f1bb6f55b3d34d (diff)
adjust descriptor tests
-rw-r--r--test/descriptor.rb33
1 files changed, 23 insertions, 10 deletions
diff --git a/test/descriptor.rb b/test/descriptor.rb
index 834d56b..eae3ebf 100644
--- a/test/descriptor.rb
+++ b/test/descriptor.rb
@@ -8,8 +8,8 @@ class DescriptorTest < MiniTest::Test
def test_00_get_descriptors
result = RestClientWrapper.get File.join($host, "compound/descriptor"), {}, {:accept => "text/plain"}
assert_equal result.code, 200
- assert result.include?("Joelib.KierShape1: no description available\nJoelib.KierShape2: no description available"), "Descriptor list is not complete."
- assert_equal 110, result.lines.count
+ assert result.include?("Joelib.KierShape1: JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.\nJoelib.KierShape2: JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details."), "Descriptor list is not complete."
+ assert_equal 355, result.lines.count
end
def test_01_get_descriptor
@@ -18,18 +18,31 @@ class DescriptorTest < MiniTest::Test
assert_equal result, "Molecular Weight filter"
end
- def test_02_post_descriptor
- result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:identifier => "CC(=O)CC(C)C#N", :descriptor => "Joelib.LogP"}, {:accept => "application/csv"}
+ def test_03_get_descriptor_id
+ result = RestClientWrapper.get File.join($host, "compound/descriptor", "Openbabel.HBA1"), {}, {:accept => "application/json"}
assert_equal result.code, 200
- assert_equal "SMILES,Joelib.LogP\nCC(=O)CC(C)C#N,2.65908\n", result
+ json = JSON.parse(result)
+ assert_equal json["description"], "Number of Hydrogen Bond Acceptors 1 (JoelLib)"
+ bsonid = json["_id"]["$oid"]
+ result = RestClientWrapper.get File.join($host, "compound/descriptor", bsonid), {}, {:accept => "application/json"}
+ json = JSON.parse(result)
+ assert_equal json["name"], "Openbabel.HBA1"
+ assert_equal json["numeric"], true
end
- def test_03_post_descriptor_file
- file = File.join(DATA_DIR, "hamster_carcinogenicity.mini.csv")
- result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:file => File.open(file), :descriptor => "Openbabel.logP,Cdk.AtomCount,Cdk.CarbonTypes,Joelib.LogP"}, {:accept => "application/json"}
+ def test_04_post_descriptor
+ result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:identifier => "CC(=O)CC(C)C#N", :descriptor => "Joelib.LogP"}, {:accept => "application/csv"}
assert_equal result.code, 200
- proof_result = File.read(File.join(REST_DATA_DIR, "test_03_post_descriptor_file.result"))
- assert_equal result, proof_result.strip
+ assert_equal "SMILES,CC(=O)CC(C)C#N\n\"Joelib.LogP\",2.65908", result
end
+ # currently not applicable
+ #def test_05_post_descriptor_file
+ # file = File.join(DATA_DIR, "hamster_carcinogenicity.mini.csv")
+ # result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:file => File.open(file), :descriptor => "Openbabel.logP,Cdk.AtomCount,Cdk.CarbonTypes,Joelib.LogP"}, {:accept => "application/json"}
+ # assert_equal result.code, 200
+ # proof_result = File.read(File.join(REST_DATA_DIR, "test_03_post_descriptor_file.result"))
+ # assert_equal result, proof_result.strip
+ #end
+
end