diff options
Diffstat (limited to 'lib/compound.rb')
-rw-r--r-- | lib/compound.rb | 4 |
1 files changed, 4 insertions, 0 deletions
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") |