diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 2 |
1 files changed, 0 insertions, 2 deletions
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 |