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author | Christoph Helma <helma@in-silico.ch> | 2013-07-04 16:36:07 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2013-07-04 16:36:07 +0200 |
commit | 0c441d6c0b06b969bd18809eefd99cc082e32612 (patch) | |
tree | 711c845f9c230c61282a8fa4cbda29ba4995b0a0 /lib/algorithm.rb | |
parent | 6c35e3f8369ba96cb251eac487424bd949fdcf6c (diff) |
descriptor calculation fixed
Diffstat (limited to 'lib/algorithm.rb')
-rw-r--r-- | lib/algorithm.rb | 8 |
1 files changed, 3 insertions, 5 deletions
diff --git a/lib/algorithm.rb b/lib/algorithm.rb index 7d9a5a2..5cffa88 100644 --- a/lib/algorithm.rb +++ b/lib/algorithm.rb @@ -22,8 +22,8 @@ module OpenTox include OpenTox include Algorithm - [:smarts_match,:smarts_count,:openbabel,:cdk,:joelib,:physchem,:lookup].each do |descriptor| - Descriptor.define_singleton_method(descriptor) do |compounds,descriptors| + [:smarts_match,:smarts_count,:physchem,:lookup].each do |descriptor| + Descriptor.define_singleton_method(descriptor) do |compounds,descriptors=nil| descriptors = [descriptors] unless descriptors.is_a? Array case compounds.class.to_s when "Array" @@ -34,9 +34,7 @@ module OpenTox JSON.parse(Descriptor.new(File.join(self.service_uri, "descriptor", descriptor.to_s), SUBJECTID).run(:compound_uri => compounds.uri, :descriptors => descriptors)) when "OpenTox::Dataset" task_uri = Descriptor.new(File.join(self.service_uri, "descriptor", descriptor.to_s), SUBJECTID).run(:dataset_uri => compounds.uri, :descriptors => descriptors) - puts task_uri - #task_uri - Dataset.new(Task.new(task_uri).wait_for_task) + Dataset.new(wait_for_task task_uri) else bad_request_error "First argument contains objects with a different class than OpenTox::Compound or OpenTox::Dataset" end |