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authorChristoph Helma <helma@in-silico.ch>2013-07-04 16:36:07 +0200
committerChristoph Helma <helma@in-silico.ch>2013-07-04 16:36:07 +0200
commit0c441d6c0b06b969bd18809eefd99cc082e32612 (patch)
tree711c845f9c230c61282a8fa4cbda29ba4995b0a0 /lib/algorithm.rb
parent6c35e3f8369ba96cb251eac487424bd949fdcf6c (diff)
descriptor calculation fixed
Diffstat (limited to 'lib/algorithm.rb')
-rw-r--r--lib/algorithm.rb8
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