From 2dc66aef3b7932105868ee8c7d32ad975e142d1b Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 13 Oct 2016 19:48:21 +0200 Subject: compound tests fixed --- lib/compound.rb | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index b47364c..6c53cde 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -300,9 +300,8 @@ module OpenTox # Calculate molecular weight of Compound with OB and store it in object # @return [Float] molecular weight def molecular_weight - mw_feature = PhysChem.find_or_create_by(:name => "Openbabel.MW").id.to_s - calculate_properties unless properties[mw_feature] - properties[mw_feature] + mw_feature = PhysChem.find_or_create_by(:name => "Openbabel.MW") + calculate_properties([mw_feature]).first end private -- cgit v1.2.3