Make surface molecules from smiles using Argon workaround #2607
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rwest
reviewed
Mar 8, 2024
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Motivation or Problem
The issue is described here, #2603, but basically RDKit complains when you try to make a surface molecule using smiles.
Description of Changes
This PR adds a workaround where you initialize the molecule using Ar as a replacement for X to get the adjacency list and then remove the extra pairs of electrons and change Ar back to X to get the originally intended molecule.