Greg Landrum e35f7db009 Cleanup/get atoms and bonds (#9243)

2026-04-18 05:22:09 +02:00

..

testExecs

Unset executable flag

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

catch_tests.cpp

Add extract mol fragment api (#8811)

2025-12-09 15:06:29 +01:00

CMakeLists.txt

Move some more tests over to catch2 (#9058)

2026-01-24 07:03:04 +01:00

Subgraphs.cpp

Cleanup/get atoms and bonds (#9243)

2026-04-18 05:22:09 +02:00

Subgraphs.h

Revert "Create a function to extract some specified atoms from a ROMol as a new ROMol by creating new graph (#8742) (#8743)" (#8814)

2025-09-25 10:54:36 +02:00

SubgraphUtils.cpp

Add extract mol fragment api (#8811)

2025-12-09 15:06:29 +01:00

SubgraphUtils.h

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

testSubgraphs1.cpp

Move some more tests over to catch2 (#9058)

2026-01-24 07:03:04 +01:00

testSubgraphs2.cpp

rename test, convert to catch (#9003)

2025-12-13 20:18:40 +01:00