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rdkit/Code/GraphMol/FMCS
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Paolo Tosco 2433982386 avoid that lone atoms which are part of a ring in one of the molecules become part of the MCS (#4065) 
Co-authored-by: Paolo Tosco <paolo.tosco@novartis.com>
2021-04-27 11:10:29 +02:00
..
Test
Include Winsock2.h instead of Windows.h in DebugTrace.h (#3756)
2021-01-26 05:35:43 +01:00
testData
3D MCS - Minimal version, no refactoring (#3749)
2021-01-26 04:50:05 +01:00
Wrap
avoid that lone atoms which are part of a ring in one of the molecules become part of the MCS (#4065)
2021-04-27 11:10:29 +02:00
CMakeLists.txt
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
Composition2N.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
DebugTrace.h
Include Winsock2.h instead of Windows.h in DebugTrace.h (#3756)
2021-01-26 05:35:43 +01:00
DuplicatedSeedCache.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
FMCS.cpp
3D MCS - Minimal version, no refactoring (#3749)
2021-01-26 04:50:05 +01:00
FMCS.h
3D MCS - Minimal version, no refactoring (#3749)
2021-01-26 04:50:05 +01:00
Graph.h
Fixes #3938 (#3954)
2021-03-22 13:14:10 -04:00
MatchTable.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
MaximumCommonSubgraph.cpp
avoid that lone atoms which are part of a ring in one of the molecules become part of the MCS (#4065)
2021-04-27 11:10:29 +02:00
MaximumCommonSubgraph.h
Fixes #3095 (single-atom MCSs are not captured) (#3109)
2020-05-05 13:58:33 +02:00
RingMatchTableSet.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
Seed.cpp
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
Seed.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
SeedSet.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
SubstructMatchCustom.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
SubstructMatchCustom.h
Modernization: use nullptr (#3143)
2020-05-25 09:40:01 +02:00
SubstructureCache.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
Target.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
TargetMatch.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
testFMCS_Unit.cpp
avoid that lone atoms which are part of a ring in one of the molecules become part of the MCS (#4065)
2021-04-27 11:10:29 +02:00