Greg Landrum 71051cde10 Fixes #6211 (#6250) ...

* backup

* basic tests pass

* add JSON out to substruct match parameters

* serialize the substruct match parameters in reactions

* add that to the python wrapper

* more testing

2023-04-05 19:08:37 +02:00

..

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 #888 (#6018)

2023-01-30 17:18:22 +01:00

CMakeLists.txt

make the catch tests build faster (#5284)

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

cmd_match.cpp

Run clang-format against cpp (#4358)

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

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

Fixes #888 (#6018)

2023-01-30 17:18:22 +01:00

SubstructMatch.h

Fixes #6211 (#6250)

2023-04-05 19:08:37 +02:00

SubstructUtils.cpp

Fixes #6211 (#6250)

2023-04-05 19:08:37 +02:00

SubstructUtils.h

Enhanced generateDepictionMatching2DStructure functionality (#3811)

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

test1.cpp

Remove check for ring information from Atom::Match (#6063)

2023-02-08 04:30:05 +01:00

ullmann.hpp

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

UnitTestSubstruct.py

Issue1071/yapf (#1078)

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

vf2.hpp

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00