Brian Kelley 2b99ee477c Allow fragments to be grouped in cdxml (#7529) ...

* Allow fragments to be groups in CDXML

* Add support for grouped reactants

* run clang-format

* Change github issue to 7528

* Add documents to the code

* response to review, check grouped reactants in cdxml against rxn file

* Remove unused code

* Add missing file

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Co-authored-by: Brian Kelley <bkelley@relaytx.com>

2024-06-23 07:02:19 +02:00

4.8 KiB

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