David Cosgrove cef43e8aef In verbose output, check that the query molecule exists before using it. (#9040) ...

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2026-01-08 06:06:52 +01:00

..

Test

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

testData

3D MCS - Minimal version, no refactoring (#3749)

2021-01-26 04:50:05 +01:00

Wrap

Add safeSetattr to more params / options objects (#8842)

2025-10-08 16:15:20 +02:00

CMakeLists.txt

In verbose output, check that the query molecule exists before using it. (#9040)

2026-01-08 06:06:52 +01:00

Composition2N.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

DebugTrace.h

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

DuplicatedSeedCache.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

FMCS.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

FMCS.h

style: apply modernize-use-override (#8137)

2025-04-25 12:24:58 +02:00

Graph.h

- Changed all unsigned to unsigned int for clarity (#6646)

2023-08-25 06:09:19 +02:00

MatchTable.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

MaximumCommonSubgraph.cpp

In verbose output, check that the query molecule exists before using it. (#9040)

2026-01-08 06:06:52 +01:00

MaximumCommonSubgraph.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Seed.cpp

- Changed all unsigned to unsigned int for clarity (#6646)

2023-08-25 06:09:19 +02:00

Seed.h

switch to C++20 (#8039)

2025-04-09 11:57:17 +02:00

SeedSet.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

SubstructMatchCustom.cpp

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

SubstructMatchCustom.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

SubstructureCache.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Target.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

TargetMatch.cpp

switch to C++20 (#8039)

2025-04-09 11:57:17 +02:00

TargetMatch.h

switch to C++20 (#8039)

2025-04-09 11:57:17 +02:00

testFMCS_catch_tests.cpp

In verbose output, check that the query molecule exists before using it. (#9040)

2026-01-08 06:06:52 +01:00

testFMCS_Unit.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00