* Test routine working
* Fix python molzip signature clash
* Update SWIG bindings
* Add C++ and Python documentation
* Add C++ and Python documentation
* extend the allowed valences of the alkali earths
make it possible to have preferred and arbitrary valence states (I thought this already worked)
* backup
* maybe needed
* copy in some swig3 files;
at this point the tests all work
* remove SWIG version lock
* changes in response to review
* First pass at MolZip (sans bond stereo)
* Add support for bond stereo zipping
* Add molzip swig wrappers
* Add simple python wrapper/tests
* Remove smiles round tripping now that fragmentOnBonds is fixed
* Responses to review
* AtomMaps and Isotopes must explicitly be set
* Add molzip single molecule api isotope test
* Add missing %newobject
* Add better python docs, label test
* fix docs add a test for molzip
* Update Code/GraphMol/ChemTransforms/MolFragmenter.cpp
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
* Add missing case breaks
* Add more preconditions, move mark and restore to private functions
* Remove unused and redunddant code
* optimize get_other_atom
* Add single arg molzip test
* Update Code/GraphMol/Wrap/rough_test.py
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
* Adds replaceCore function that takes a matchVect
* Fixes error reporting, adds tests
* Switches PRECONDITION to ValueError exceptions
* Fixes MatchVectType annoyance in swig. Don't know why this is necessary.
* Silences warnings
* Adds working doctests and better explanations.
