4 Commits

Author SHA1 Message Date
Greg Landrum
8127c85a91 [v2 API] SMILES/SMARTS parsers (#6203)
* basic approach to v2api

* does not work, backup commit

* well, that now compiles

* cleaner

* more cleanup and testing

* get the SWIG wrappers to build

* swig wrappers now build

* switch back to using references to default values

* adjust to new catch version

* move the implementation to v2 and call it from v1

* update the parameter object too

* move debugParse down

* a couple of review changes

* make v2 naming consistent with Python
2024-01-19 17:17:51 +01:00
Greg Landrum
c757ea64b6 add support for replacements in smiles and smarts.
remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked)
remove useless wrapper file (SmilesParseOps.i).
2011-07-07 05:45:31 +00:00
Greg Landrum
e2d9ed51b3 add svn props 2011-07-01 04:43:39 +00:00
Greg Landrum
c7ef21088b add initial version of new swig wrappers 2011-04-07 05:22:00 +00:00