* - Fix#8029
- avoid unnecessary rounding errors in the JSON writer
- remove a warning when compiling MinimalLib without SubstructLIbrary support
* changes in response to review
* changes in response to review
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Co-authored-by: ptosco <paolo.tosco@novartis.com>
the DocToMols procedure assumes that the "commonchem" and "rdkitjson"
fields are nested json docs, but that is not true. This change updates the
procedure to stop relying on that wrong assumption and adds a test for
validation.
* add function to canonicalize enhanced stereo representations
* use enhanced stereo in canonicalization
* Fixes#6045
enables the doc tests for EnumerateStereoisomers.py
Re-enables the BRICS tests
* some things work... tests need to be updated
* c++ and python tests pass
* update expected psql results
* run the canonicalization on SMILES generation;
c++ and python tests pass
* cartridge and java tests pass
* update doctests
* write stereogroups
* Parse stereogroups
* add parameters to python wrappers
* more tests
* write substancegroups
* parse SubstanceGroups
* Fix a crashing bug with null molecules
* more testing
* add some docs
* update expected cffi results
* oh, this is delightful syntax
* adapt minimallib and the cartridge tests
some small cleanups
* stupid padding
* update expected
* changes in response to review
* start refactor query pickling
* further query pickling refactoring
* bit of modernization
* partial implementation of query writing
* serialize recursive queries
* new tests
* support QueryAtom and QueryBond with null queries
* more query cleanup
* tests pass
* switch from std::variant to boost::variant
* update clang version for CI
* explicit instantiation of templates
* get dll builds working on windows
* optionally skip h counts on parsing; more query tests
* change in response to review
* changes in response to review
