From fbded88db8b51f41ffbd5a02f601e4538ec87258 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 14 Oct 2016 09:55:51 +0200 Subject: git commit added to model metadata --- lib/compound.rb | 2 -- 1 file changed, 2 deletions(-) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index 6c53cde..e2a55ea 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -76,7 +76,6 @@ module OpenTox end def calculate_properties descriptors=PhysChem::OPENBABEL - # TODO: speedup java descriptors calculated_ids = properties.keys # BSON::ObjectId instances are not allowed as keys in a BSON document. new_ids = descriptors.collect{|d| d.id.to_s} - calculated_ids @@ -95,7 +94,6 @@ module OpenTox end save descriptors.collect{|d| properties[d.id.to_s]} - #properties.select{|id,v| descriptors.collect{|d| d.id.to_s}.include? id} end def smarts_match smarts, count=false -- cgit v1.2.3