David Cosgrove 293328845b Add overloads of MolOps::getMolFrags and MolOps::getMolFragsWithQuery (#7823) ...

* Add overloads of getMolFrags and getMolFragsWithQuery that fill in using std::unique_ptr rather than boost::shared_ptr.

* Response to review - do things in unique_ptrs from the outset rather than raw pointers.

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2024-09-20 09:48:08 +02:00

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