* revert duplicate chunk in release notes
* replace deprecated ifdefs
This one gets rid of USE_BUILTIN_POPCNT and RDK_THREADSAFE_SS
use RDK_OPTIMIZE_POPCNT or RDK_BUILD_THREADSAFE_SSS instead
* get rid of BUILD_COORDGEN_SUPPORT from ROMol.i
* fix a stupid typo
* update release notes
* run clang-tidy with modernize-use-default-member-init
* results from modernize-use-emplace
* one uniform initialization per line
otherwise SWIG is unhappy
Co-authored-by: Brian Kelley <fustigator@gmail.com>
* a round of cleanups courtesy of PVS studio
* add a test to make sure that a warning is a false alarm
* bug fix
* Fix a UFF bug
* more PVS studio cleanups
* next round of PVS studio cleanups
* completely remove the chances for that bug
* changes in response to review
* add an additional test
+ a bit of reformatting that snuck in
* initial commit of Roger's contrib
* add the new file to the headers list
* clang-format
* stub of the python wrapper
* code added for testing
* code added for testing
* add LeaderPicker.seq.h
* default pickSize value
* first crude python wrapper
* Add C++ tests for the LeaderPicker
combine the thread and non-thread versions
* that was not really a test
* support providing a functor from Python
* no longer need the .seq header
* temporarily disable the threaded version to allow CI runs to pass
* some refactoring and cleanup
