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Hi,
first of all, thanks for maintaining this very nice code! When using internal bonds we experienced some
issue when reconnecting those bonds.
"Error in Molecule::breadthFirstSearch, m is null.
Likely an internal error where a MappingSet is on a list and
is not actually mapped to any molecule!"
Looking into the code, the Molecule object seems to be a null pointer for some cases, which leads
to crashes (e.g. when calling traverseBondedNeighborhood). However, the reason for that is unclear to me.
A minimal working example bng file is attached. Perhaps you have some ideas here? The issue may be related to this bug.
Kind regards,
Chris
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