5 Commits

Author	SHA1	Message	Date
Greg Landrum	f35e04403a	replace the usage of rdk_auto_ptr with std::unique_ptr (#1752) ... That is what was being used for modern c++ anyway	2018-02-14 19:49:47 -05:00
Brian Kelley	ea8d7e68f9	Dev/rdmmpa api update (#1291) ... * Adds FragmentMol with minCuts specified * Adds ability to cut by bond indices as opposed to smarts patterns * Fixed API (remove maxBondCuts when bonds are sent in) * Adds bond api test * Fixes docs * Small doc change * Removes cstdint * Adds ValueError minor bond retrieval optimization * Removes fragMolHelper4 * Tests ValueError * py3 fix	2017-02-27 17:08:01 +01:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Brian Kelley	39b69b3600	Adds maxCutBonds to MMPA interface to limit combinitorial explosion	2015-11-11 08:02:11 -05:00
Greg Landrum	d6e9ac1794	first pass at adding a python wrapper for the C++ MMPA code	2015-07-15 15:19:09 +02:00