Commit Graph

6 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
Steve Roughley
b1fd950eb2 Added getMessage method to exceptions (#3700)
* Added getMessage method to exceptions

* Added test cases to WrapperTests.java

* Corrected typo in test case

* Corrected test case error
2021-01-14 06:53:37 +01:00
Greg Landrum
5712176605 Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)
* Deprecation: planned removal of .message() and .getMessage() methods

* Deprecation: planned removal of old MolHash code

* document deprecations

* output the diffs when the psql tests fail

* remove .message() from SWIG wrappers

note that the KeyError doesn't work properly. We should clean up the the exceptions here anyway

* typo
2020-04-01 14:30:07 +02:00
Riccardo Vianello
7479059777 Code/RDBoost/Exceptions.h moved to Code/RDGeneral 2015-03-16 23:06:50 +01:00
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