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-rw-r--r--lib/compound.rb4
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")