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| author | Christoph Helma <helma@in-silico.ch> | 2010-12-03 14:37:09 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2010-12-03 14:37:09 +0100 |
| commit | 64e5d2890f42cef112fbe768f6bfd54b746686de (patch) | |
| tree | d110ab47aa6df694be297cfded9f07ad101e1e79 /lib/compound.rb | |
| parent | 351694975c611999856c722d8cc3ae971811bc7b (diff) | |
underscore method added to String class
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 6834860..a85507b 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -68,6 +68,12 @@ module OpenTox c end + # Get InChI + # @return [String] InChI string + def to_inchi + @inchi + end + # Get (canonical) smiles # @return [String] Smiles string def to_smiles |