Greg Landrum ef90a4bedf Allow adding custom atom and bond matcher functions for substructure searching (#8994) ...

* extra SSS match functions for atoms/bonds
initial implementation and testing

* add baseline to test

* add a functor for matching atom coords

* support the extra checks in python

* refactor the way the python callbacks are handled

* test tolerances

* expose the AtomCoordsMatcher to python

* allow the extra checks to override the default matching

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Co-authored-by: = <=>

2025-12-12 20:03:31 +01:00

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