Greg Landrum 170796a175 Fixes some problems with findPotentialStereo() (#3499) ...

* backup, definitely does not work

* remove obsolete test
(not even really sure anymore that's a bug)

* remove code from a false path

* at this point the code passes all tests

* backup

* handle isotopes and h counts properly

* remove some compiler warnings

* all tests passing

* Use InChI minimimum ring size for bonds

* Fixes edge-case bug in canonicalization when bond labels are provided

* cleanup, no substance here

* fixes the last set of problems I've seen

* document that this is still experimental

* remove obsolete/testing comments

* stop considering charge and H count in chirality

2020-10-17 04:35:58 +02:00

21 KiB

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