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| author | Christoph Helma <helma@in-silico.ch> | 2015-07-19 21:26:03 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2015-07-19 21:26:03 +0200 |
| commit | 51e7a29c8aac568ff8ef04de5b15d2f6db8f66da (patch) | |
| tree | 0f714ff3b20bb2cf156cfa9d4f802581f38688bb /lib/compound.rb | |
| parent | 52fef792922c59d102825193fff05be9c3fa88a8 (diff) | |
lazar predictions working in principle
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") |