5 Commits

Author	SHA1	Message	Date
Brian Kelley	659ac6cb27	Adds aromatization and reaction options to AdjustQuery (#965) ... * Adds aromatization and reaction options to AdjustQuery aromatizeIfPossible - checks kekulized queries for aromatic compatibility adds IGNORE_MAPPED and IGNORE_ATTACHEDRGROUPS options to adjustDegree * Missed return false. * Removes IGNOREATTACHEDRGROUPS	2016-06-29 05:09:30 +02:00
Greg Landrum	d63f44cc0c	Add cartridge support for adjustQueryProperties() (#949) ... * backup commit * Change the names and meanings of MolOps::AdjustQueryWhichFlags What was there before was not flexible enough and was extremely confusing. This should clear that up. NOTE: this does break backwards compatibility with code that uses this enum, but given that this is new and has not been widely promoted, I suspect it should not affect that many people. The default behavior of MolOps::adjustQueryProperties() remains the same. * adjust to the new AdjustQueryWhichFlags * add mol_adjust_query_properties tests to the cartridge	2016-06-21 14:38:32 -04:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Greg Landrum	8596c6f9ad	add support for converting dummies to queries	2015-08-22 05:43:42 +02:00
Greg Landrum	a7383e7861	first pass at #567	2015-08-21 16:45:00 +02:00