* cleanup a bunch of g++ warnings
* make it work with clang
* remove some additional warnings based on CI builds
* fix that version number
* stop being verbose when building
* 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>
* run clang-tidy with readability-braces-around-statements
clang-format the results
clean up all the parts that clang-tidy-8 broke
* fix problem on windows
* 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
* expose addRing to python
* backup commit
* basics of atom and bond loading
* basics of atom and bond loading
* do bond stereo too
* Loads of cleanups
Read conformers and molecule properties
Better tests
update one of the test values so that we aren't always testing ccw
* enable auto-download of rapidjson distrib
* reader now mostly done (still missing atomic/bond properties)
* a bit of optimization
* a bit of cleanup
* a bit more optimization
* backup
* test zero-order bonds
* prep work for writer (not done)
* add isotope support
* backup
* getting there with the writing
* progress on writing; still need to do the RDKit part though
* can now roundtrip, including chirality.
double bond stereo needs to wait for backend fixes
* add a timing test for benchmarking
* add a timing test for benchmarking
* add another template
* add parse params; optionally set bond types to aromatic; add python wrapper
* disable benchmark run by default
* write conformers
* refactoring
* docs
* port to commonchem
* switch representation
* start reading and writing properties
* fix a memory problem
* set a common_property for gasteiger charges
* parse partial charges
* add partial charge writing
* reformatting
* add support for disabling parts of the parsing
* remove the "name" property from files
* editing
* more post-review changes
* make the molinterchange build optional
* make them really optional
