Greg Landrum 7f73da78a2 Fixes #4809: double bond stereo can now be set after calling replaceCore() (#4827) ...

* add test

* backup commit

* Fixes #4809

* cleanup

* don't make that change in large rings

* docs

2021-12-29 09:03:09 +01:00

..

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

Fixes #4809: double bond stereo can now be set after calling replaceCore() (#4827)

2021-12-29 09:03:09 +01:00

ChemTransforms.cpp

Fixes #4809: double bond stereo can now be set after calling replaceCore() (#4827)

2021-12-29 09:03:09 +01:00

ChemTransforms.h

a few doxygen comment fixes (#4368)

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

CMakeLists.txt

Fixes #4809: double bond stereo can now be set after calling replaceCore() (#4827)

2021-12-29 09:03:09 +01:00

MolFragmenter.cpp

Cleanup some problems found during an ASAN build (#4054)

2021-04-21 10:22:04 -04:00

MolFragmenter.h

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

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