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authorChristoph Helma <helma@in-silico.ch>2011-07-29 12:11:18 +0000
committerChristoph Helma <helma@in-silico.ch>2011-07-29 12:11:18 +0000
commit1a065c0031e92137ae841c9876c564d49791fc35 (patch)
treeb6e69ea87fbdc0b0368bb9087a5583e3c2822a20 /dataset.rb
parent4a84e96d4e40d11ed58ae810e7bfb9624c1222e6 (diff)
SDF export with data items
Diffstat (limited to 'dataset.rb')
-rw-r--r--dataset.rb16
1 files changed, 10 insertions, 6 deletions
diff --git a/dataset.rb b/dataset.rb
index c10b7a1..077530b 100644
--- a/dataset.rb
+++ b/dataset.rb
@@ -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)