From 0c441d6c0b06b969bd18809eefd99cc082e32612 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 4 Jul 2013 16:36:07 +0200 Subject: descriptor calculation fixed --- lib/algorithm.rb | 8 +++----- lib/opentox.rb | 1 + 2 files changed, 4 insertions(+), 5 deletions(-) (limited to 'lib') 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 diff --git a/lib/opentox.rb b/lib/opentox.rb index 044da4b..ec18c0f 100644 --- a/lib/opentox.rb +++ b/lib/opentox.rb @@ -229,6 +229,7 @@ module OpenTox end def self.find_or_create metadata, subjectid=nil + puts metadata.inspect sparql = "SELECT DISTINCT ?s WHERE { " metadata.each do |predicate,objects| unless [RDF::DC.date,RDF::DC.modified,RDF::DC.description].include? predicate # remove dates and description (strange characters in description may lead to SPARQL errors) -- cgit v1.2.3