Getters to InChIKey and augmented InChI in Molecule - #75

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nickvandewiele:inchiKeyAug

Commits on May 23, 2012

InChI Key getter in molecule.Molecule
nickvandewiele
committed
071a8e7
Unit test for InChIKey generation.
nickvandewiele
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b4248bd
Augmented InChI getter in Molecule
nickvandewiele
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4999a5a
Augmented InChIKey getter in Molecule
nickvandewiele
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860eb26
unit test for Augmented InChI
nickvandewiele
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c1316a9
unit test for Augmented InChIKey
nickvandewiele
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9ce542c