David Cosgrove b04a861ae7 Replace combineMols with RWMol::insertMol. (#9319) ...

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

2026-06-02 14:38:14 +02:00

..

data

Fixes Github8650 - spaces in columns in tab-separated synthon space files (#8652)

2025-07-25 06:35:35 +02:00

Wrap

Make incremental search callback take ownership of mols (#8940)

2025-11-11 17:10:29 +01:00

CMakeLists.txt

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

fingerprint_search_catch_tests.cpp

Incremental synthon search (#8855)

2025-11-08 04:27:16 +01:00

LONG_TEST_catch_tests.cpp

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

MemoryMappedFileReader.cpp

Refactor iostreams includes (#8846)

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

MemoryMappedFileReader.h

Synthon Search Phase 2 (#8338)

2025-03-21 13:09:34 +01:00

rascal_search_catch_tests.cpp

Incremental synthon search (#8855)

2025-11-08 04:27:16 +01:00

SearchResults.cpp

style: apply readability-braces-around-statements (#8136)

2026-02-09 12:10:50 +01:00

SearchResults.h

synthon perf: replace sort+unique dedup with boost::unordered_flat_set (#9305)

2026-05-28 17:13:03 +02:00

substructure_search_catch_tests.cpp

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

Synthon.cpp

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

Synthon.h

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

SynthonSet.cpp

Replace combineMols with RWMol::insertMol. (#9319)

2026-06-02 14:38:14 +02:00

SynthonSet.h

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

SynthonSpace.cpp

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

SynthonSpace.h

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

SynthonSpaceFingerprintSearcher.cpp

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

SynthonSpaceFingerprintSearcher.h

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

SynthonSpaceHitSet.cpp

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

SynthonSpaceHitSet.h

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

SynthonSpaceRascalSearcher.cpp

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

SynthonSpaceRascalSearcher.h

Synthon space hit filters (#8473)

2025-05-11 05:14:12 +02:00

SynthonSpaceSearch_details.cpp

Replace combineMols with RWMol::insertMol. (#9319)

2026-06-02 14:38:14 +02:00

SynthonSpaceSearch_details.h

synthon perf: replace sort+unique dedup with boost::unordered_flat_set (#9305)

2026-05-28 17:13:03 +02:00

SynthonSpaceSearcher.cpp

Synthon substructure search 2x performance (#9307)

2026-06-02 14:23:49 +02:00

SynthonSpaceSearcher.h

Synthon substructure search 2x performance (#9307)

2026-06-02 14:23:49 +02:00

SynthonSpaceSubstructureSearcher.cpp

Github9007 (#9022)

2025-12-29 21:08:10 +01:00

SynthonSpaceSubstructureSearcher.h

Github9007 (#9022)

2025-12-29 21:08:10 +01:00