Commit Graph

1 Commits

Author SHA1 Message Date
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