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author | Christoph Helma <helma@in-silico.ch> | 2011-07-29 12:11:18 +0000 |
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committer | Christoph Helma <helma@in-silico.ch> | 2011-07-29 12:11:18 +0000 |
commit | 1a065c0031e92137ae841c9876c564d49791fc35 (patch) | |
tree | b6e69ea87fbdc0b0368bb9087a5583e3c2822a20 /dataset.rb | |
parent | 4a84e96d4e40d11ed58ae810e7bfb9624c1222e6 (diff) |
SDF export with data items
Diffstat (limited to 'dataset.rb')
-rw-r--r-- | dataset.rb | 16 |
1 files changed, 10 insertions, 6 deletions
@@ -68,12 +68,6 @@ class DatasetTest < Test::Unit::TestCase def test_sdf_with_multiple_features uri = OpenTox::RestClientWrapper.post(CONFIG[:services]["opentox-dataset"], File.read("data/CPDBAS_v5c_1547_29Apr2008part.sdf") ,{:accept => "text/uri-list",:content_type => "chemical/x-mdl-sdfile", :subjectid => @@subjectid}).to_s.chomp assert_kind_of URI::HTTP, URI.parse(uri) - #puts uri - #uri = OpenTox::RestClientWrapper.post(CONFIG[:services]["opentox-dataset"], File.read("/dataCPDBAS_v5c_1547_29Apr2008.sdf") ,{:accept => "text/uri-list",:content_type => "chemical/x-mdl-sdfile", :subjectid => @@subjectid}).to_s.chomp - #@dataset = OpenTox::Dataset.find uri, @@subjectid - ##@dataset = OpenTox::Dataset.new uri - #@dataset.load_all @@subjectid - #hamster_carc? end def test_rest_csv @@ -149,6 +143,16 @@ class DatasetTest < Test::Unit::TestCase end end + def test_sdf + @datasets.each do |uri,data| + @dataset = OpenTox::Dataset.new(uri) + @dataset.load_all @@subjectid + sdf = @dataset.to_sdf + size = sdf.lines.to_a.select{|i| i == "$$$$\n"}.size + assert_equal size, data[:nr_compounds] if data + end + end + def test_csv @datasets.each do |uri,data| @dataset = OpenTox::Dataset.new(uri) |