Files
rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp
David Cosgrove d5209dc745 Rascal left some high atomic numbers in the output SMARTS (#8247)
* Fixes bug in output SMARTS when ringMatchesRingOnly causes an extra &R.

* Punctuation.

* Run clang-format.

* Don't use recursive SMARTS.

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2025-02-27 13:20:37 +01:00

30 KiB