Brian Kelley 5cdcaa933a Fix segfault in mol zip (#5338) ...

* Fixes #5335

* fix invariant message

* Fix github issue number

* Simplify CHECK_INVARIANT logic and remove debugging output from tests

2022-06-01 05:06:34 +02:00

..

testData

initial support for reading query files. Python wrapper still needs to be done.

2012-12-17 10:28:35 +00:00

catch_tests.cpp

Fix segfault in mol zip (#5338)

2022-06-01 05:06:34 +02:00

ChemTransforms.cpp

Fix for RGD dummy atom bug in RDKit::replaceCore (#5154)

2022-05-02 14:01:57 +02:00

ChemTransforms.h

a few doxygen comment fixes (#4368)

2021-08-09 04:58:01 +02:00

CMakeLists.txt

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

MolFragmenter.cpp

Fix segfault in mol zip (#5338)

2022-06-01 05:06:34 +02:00

MolFragmenter.h

Add sanitize option to molzip (#5069)

2022-03-16 06:02:35 +01:00

testChemTransforms.cpp

RGD - a fix for the cubane issue (single target atom matches 2 user R group attachments) (#4002)

2021-05-23 15:16:03 -04:00