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2 Commits

Author SHA1 Message Date
Greg Landrum
b1663052b8 Remove Descriptors as a dependency of many other RDKit libraries (#7700) 
* move mol weight and formula calculators to MolOps and refactor them a bit.
The descriptors are still there and should remain.

* remove other unnecessary dependencies on Descriptors

* Update adapter.cpp

Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>

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Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>
 2024-08-13 13:22:43 +02:00
Greg Landrum
a26ea07d21 Fixes #7556 (#7646) 
* backup, does not work

* fix a copy-pasta typo

remove debugging messages

all tests pass here

* last bit of modernization
 2024-07-22 16:34:08 +02:00