I'd like to advocate for _not_ removing simple convenience functions like OBAtom->IsHydrogen, OBBond->IsSingle. I don't see any benefit: it breaks backwards compatibility, using GetAtomicNumber() == 1 is less readable and more error prone, and GetBondOrder() == 1 doesn't have the same semantics as IsSingle did.

My two cents.

David Koes

Assistant Professor
Computational & Systems Biology
University of Pittsburgh

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