4 Commits

Author	SHA1	Message	Date
Paolo Tosco	7d0d7df5f0	Fixes a number of issues flagged by clang (#3498) ... * - fixes a number of issues flagged by clang * - removed commented line	2020-10-15 15:03:34 +02:00
Greg Landrum	53a1382206	Fixes #3388 (#3389) ... * Fixes #3388 * add a test for numradicals too	2020-09-04 12:38:25 -04:00
Greg Landrum	daf78eb62c	add test for #3325 (#3331)	2020-08-10 13:17:41 -04:00
Greg Landrum	b55376f284	Adds more options to adjustQueryProperties (#3235) ... * add documentation * backup * first pass at 5-rings working * add a static method to initialize an empty parameter object * expose static method to python * additional testing * support the single bond adjustments * cleanup * preserve the symbol used in the query from a CTAB * support the way the MDL code adjusts five-ring aromaticity in query rings * in-code documentation * while we're at it, cleanup the way Q and A atoms are handled in the v3k parser * changes in response to review * make this C++14 again. * change in response to review	2020-06-22 09:17:50 -04:00