As the format is not restricted to fully connected graphs.
To do this properly will require that ChemModel be updated to either drop MoleculeSet or else add in fields and methods for AtomContainerSets.
I think another bug report also notes a related issue with ChemModel (ie Molecule vs AtomContainer)
I think stresses the fact that hvaing both Molecule and AtomContainer are confusing and unecessary. We really should only have a single class
IMolecule will be dropped in the 1.6 series. Postponing this bug to master.
Patch available at:
Crap. No patch available for this bug. Sorry :(
OK, since I caused confusion, I created a patch:
IMolecule no longer exists > 1.5.x.
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