Files
rdkit/Code/GraphMol/QueryOps.cpp
Greg Landrum 4049814132 Support some cactvs extensions to SMARTS (#1704)
* add queries for the number of heteroatom neighbors

* support cactvs "z" extension
this includes support for range queries on z that could
be extended to other query types as well

* extend range query extension to other SMARTS primitives

* add the less-than and greater-than versions of the range queries

* updates and new tests

* update .cmake files

* support [#6] in SMILES

* document SMILES extensions (such as they are)

* Add support for cactvs's Z queries

* add support for ^4 and ^5

* get tests running
doc update

* book updates

* update .cmake files
2018-01-04 12:00:39 -05:00

20 KiB