Brian Kelley 4e8f9e11f5 Molzip: save bond dir when zipping (#5445) ...

* MolZip now saves the bonddir when zipping

* Add test for saving bonddir in MolZip

* Save either the first or second bond dir, fix the test to actually test

* Add more comprehensive bonddir checking and atom reordering

* Fix the atom swaps after the consistency check

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

2022-07-26 05:44:47 +02:00

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