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Bug with rem_vertex! with next-to-edge atoms #113
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Thank you for catching. I will merge your PR soon. |
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Hi!
Thank you so much for building this package! It's helped a lot with our ability to process molecular structures.
I just wanted to report an issue I've noticed with
rem_vertex!
when you remove an atom next to the final atom of a molecule. For example, in hexanol, if you try to remove the carbon next to the oxygen:I believe that this is due to how the final vertex is treated in MolecularGraph:
MolecularGraph.jl/src/model/molgraph.jl
Lines 191 to 192 in fb4bb81
If this re-indexing is done, then this edge will no longer exist.
I'm not quite sure what the fix will be....
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