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e944b8e9cb
* bring over XQMol.h * bring XQMol over for a separate PR * backup... need to move these files * refactor * substruct * oops * testing basics * basic tests * more test * more testing * add empty() method to MolBundle * easy creation of ExtendedQueryMols * SRU test * reorg * the MolEnumerator should clear out residual reaction properties * support to/from JSON * cleanup * first past at python wrappers put the new code in a namespace * less stupid names more tests * undo some unnecessary changes * remove compiler warning * release GIL during hasSubstructMatch too * support adjustQueryProperties * support toggling which operations apply Fix the tautomer tests to include a molecule which actually requires the tautomer matching