2 Commits

Author	SHA1	Message	Date
Greg Landrum	a102eaf932	Add options for substructure searching (#2254) ... * first pass at adding a SubstructMatchParameter struct * start moving the rest of the backend to use the parameters * backend at least mostly moved over * add aromaticMatchesConjugated add tests * switch over the MolBundle too Add templates to reduce duplicated code * support older compilers let's see if it works... * add SubstructMatchParameters to Python wrapper * remove some deprecations and warnings * damn compilers * parameter support for bundles in python wrapper * add the parameters to the java wrappers * response to review	2019-02-08 09:10:10 -05:00
Greg Landrum	6ed76d9fff	Expose the MolBundle to python (#1583) ... * backup * initial mol bundle wrapper * Move the substructure matching wrapper code to a template header file to clean stuff up. * update python docs	2017-09-26 13:00:53 -04:00