Including the grins library in the SMILES module.
Conversion of the CDK object model to Grins.
Conversion from Grins to CDK objects.
Including tests in the module suite.
Atom-centric stereo configurations - currently only tetrahedral is supported.
Conversion of directional labels to DoubleBondStereochemistry.
Aromatic bond between aliphatic atoms - really stupid but from the tests looks like someone wants it.
Iodine only belongs to the aliphatic and not the aromatic subset - it can not be lower case and this test does not work as intended. A correct example is to have an aliphatic carbon and an aromatic oxygen which make the symbol of Cobalt (non organic subset atom).
Removing redundant bracket - Grins throws an exception if brackets are opened but not closed. We could allow such SMILES but normally this indicates something deeper is wrong. This test was checking hydrogen counts though so we can safely remove it.