Ric b06bd882c7 Allow removal of non-special H atoms in SGroups (#5399) ...

* do not remoge H if it has a special purpose in an SGroup

* flip the removeinSGroup default

* do not remove H from H-only SGroups

* remove atoms/bonds from SGroups

* update existing tests

* add tests

* Apply suggestions from code review

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

2022-07-07 11:05:18 +02:00

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