From 51e7a29c8aac568ff8ef04de5b15d2f6db8f66da Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Sun, 19 Jul 2015 21:26:03 +0200 Subject: lazar predictions working in principle --- lib/compound.rb | 4 ++++ 1 file changed, 4 insertions(+) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index b588c75..6cc4707 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -12,6 +12,10 @@ module OpenTox @inchi = inchi end + def == compound + self.inchi == compound.inchi + end + # Create a compound from smiles string # @example # compound = OpenTox::Compound.from_smiles("c1ccccc1") -- cgit v1.2.3