Commit Graph

9 Commits

Author SHA1 Message Date
Brian Kelley
cccee15a91 Add hasQueryHs (#6702) 2023-09-15 08:59:56 +02:00
Greg Landrum
71770c60a9 fix some leaks in the SWIG wrappers (#4916) 2022-01-19 21:22:53 +01:00
Greg Landrum
253f172353 Allow identification of chemistry problems (#2587)
* add AtomValenceException

* refactor a bit and add KekulizeException

* add copy ctor and copy() method

* add detectChemistryProblems

* add getType() method
want to be able to get the type of the exception without requiring doing a bunch of dynamic casts

* first pass at exception inheritance/translation
needs some cleanup and expansion, but this does pass all tests.

* cleanup and finish the python wrappers for the new exceptions

* make sure things are truly polymorphic

* wrap shared_ptrs of the new exception types

* expose DetectChemistryProblems()

* get the java wrappers building again

* transfer those changes to the c# wrapper

* add detectChemistryProblems()
and deal with the fun fun exception inheritance things that ensue

* response to review
2019-08-28 14:15:55 -07:00
Greg Landrum
74635c5fe1 Fix leak with renumberAtoms() in the SWIG wrappers (#1064)
* fix a leak with renumberAtoms() in Java

* add a test to show that leak
2016-09-13 12:24:08 -04:00
Greg Landrum
79740d64a5 fix some leaks in the java wrapper; a more systematic analysis needs to be done here 2012-06-20 03:30:37 +00:00
Greg Landrum
f17eb44221 fix leak in java wrapper 2012-04-11 09:29:07 +00:00
Greg Landrum
aeaf84e4cb work on getting the stuff in java 2012-02-26 10:05:44 +00:00
Greg Landrum
e2d9ed51b3 add svn props 2011-07-01 04:43:39 +00:00
Greg Landrum
7e3c70f71a missed some files on the commit 2011-04-08 02:46:35 +00:00