[C] atom converts to methane
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Description
trying to load in a smiles string "[C]"
results in CH4
when I expect just a carbon atom
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Research direction
Reproduce the report by loading the SMILES string "[C]" and compare the result with the expected isolated carbon atom shown in the issue. Trace the SMILES parsing or loading entry point used by the reported interface, then add a regression test for this input and verify that it no longer yields CH4.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp
- Domain
- tooling
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100