* enable Werror on Mac and Linux
* do not fail on boost multiprecision pessimizing move
* fix eigen array_bounds warning
* Fix unused arg in Rascal MCS
* fix range-loop-construct warning in Rascal MCES
* fix sign mismatched comparison
* drop unused lambda capture
* allow FMCS timeout test more time under Debug (not a warning!)
* fix fwd declaration of struct RascalClusterOptions
* fix deallocator mismatch
* fix two minor leaks
* fix a real leak
* more minor leaks
* fix another real leak, plus some potential ones
* fix std::move preventing copy ellision
* allow longer run time for debug builds
* make maxBondMatchPairs and getLargestFragSize unsigned int
* make snake case camel case
* update to current master, fix new warnings
* update again and more fixes
* add #include <optional>
* fix char array deallocation
* update and fixes in Marvin writer
* unsigned int
* more copy ellision fixes
* more copy ellision fixes, and typos
* and some more
* 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
* Adds C++ Enumeration Engine to the RDKit
* Adds Sanitization helpers, wrappers and tests
* Clang format
* Remove unused enumerationStateOnly flag
* Fixes docStrings to current API
* Adds doc strings
* Removes RGroupPosition, adds getPosition to EnumerationBase
* Fixes readability.
* Adds EnumerateLibraryBase::reset and getReaction
* Added getReagents method to EnumerateLibrary
* Make the tests have the same naming
* Need to save the initial state for resetting.
* Stupid case-insensitive file systems
* Moves ResetState to EnumerateLibraryBase
* Adds removeNonmatchingReagents helper
* Renames currentPosition to getPosition
* Adds Enumeration Toolkit tutorial
* Fixes Python3 serialization and enumerators
* Verified to run on python2 and 3
* Fixes integer issues on windows
* The number of enumeration should be unsigned.
* Adds deserialization constructor
* Moves boost_serialization to the end
* Deprecates Clone in favor of copy
* Update tests to use copy.copy not Clone
* Move RGROUPS and BBS into an EnumerationTypes namespace
* Make sure old pickles work
* Adds pickle for backwards compatibility
* Moves to uint64_t from size_t for public api
* Whups, accidentally used the binary archiver.
* Commits boost 1.55 serialization
* Makes serialization turnoffable Like Filter Catalog
* Fixes tests when serialization not available. Adds more enumeration strategy tests
* Fixes a syntax error on some versions of python
* Fixes sanitizeRxn to actually make proper RGroup atoms
* Updates SanitizeRXN python API
* Updates Enumeration API to a parameter class - fixes reagent removal
* Adds a mess of tests
* Change stats to return a string.
* Exposes EvenPairSamplingStrategy Stats to python
* Fixes a crash bug in SanitizeRxn
* Adds better testing of the even pair sampling
* Fixes namespace
* One more try to fix gcc
* Enum classes are c++11 and a microsoft extension.
* Fix typo
* Fixes np.median for python3
* Fixes atom iterators
* Adds virtual tags to derived virtual functions (for clarity)
* Fixes size comparison issues
* Adds doc string
* Small cleanup (has no effect since flags aren’t used)
* fixes crash bug on windows
* get the tests working on windows
* Updates tutorial
* Adds Glare implementation to Contrib