Gareth Jones c2fb57c19f RGD - a fix for the cubane issue (single target atom matches 2 user R group attachments) (#4002) ...

* Most tests working

* All tests working

* Fixed tests after merge with master

* Create header and implementations for RCore

* Updated comments

* Removed old code

* DLL export for MolMatchFinalCheckFunctor

* Information line for failing Mac test

* Log replace core behaviour

* Ordering fix for OSX

* Possible fuzzer fix

* Removed debug output

* Fix unmatched user R group bug

* Code review changes

* Bug fix and ChemTransforms test

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

..

testExecs

Unset executable flag

2019-10-10 20:18:43 +09:00

bench.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

bond-query.cdxml

Unset executable flag

2019-10-10 20:18:43 +09:00

catch_tests.cpp

Fixes #4138 (#4145)

2021-05-18 08:44:12 -04:00

CMakeLists.txt

Fixes #4138 (#4145)

2021-05-18 08:44:12 -04:00

cmd_match.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

list-query.cdxml

Unset executable flag

2019-10-10 20:18:43 +09:00

regress.txt

Unset executable flag

2019-10-10 20:18:43 +09:00

SubstructMatch.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

SubstructMatch.h

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

SubstructUtils.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

SubstructUtils.h

Enhanced generateDepictionMatching2DStructure functionality (#3811)

2021-02-24 05:37:31 +01:00

test1.cpp

Enhanced generateDepictionMatching2DStructure functionality (#3811)

2021-02-24 05:37:31 +01:00

ullmann.hpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

UnitTestSubstruct.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

vf2.hpp

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00