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rdkit/Code/GraphMol/FMCS
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Paolo Tosco c6503e9f8e Use query molecule rather than ambiguous SMARTS for MCS matching (#2759) 
* - MatchFusedRings does not imply CompleteRingsOnly anymore

* - use a more specific query molecule rather than an ambiguous SMARTS string in MCSResult

* - changes in response to review
2019-12-16 04:57:54 +01:00
..
Test
Fix (most of) mem problems (#2123)
2018-10-29 14:33:26 +00:00
Wrap
Use query molecule rather than ambiguous SMARTS for MCS matching (#2759)
2019-12-16 04:57:54 +01:00
CMakeLists.txt
Fix installed header directory structure (#2754)
2019-11-11 13:14:29 +01:00
Composition2N.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
DebugTrace.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
DuplicatedSeedCache.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
FMCS.cpp
- MatchFusedRings does not imply CompleteRingsOnly anymore (#2748)
2019-11-29 13:35:39 +01:00
FMCS.h
Use query molecule rather than ambiguous SMARTS for MCS matching (#2759)
2019-12-16 04:57:54 +01:00
Graph.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
MatchTable.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
MaximumCommonSubgraph.cpp
Use query molecule rather than ambiguous SMARTS for MCS matching (#2759)
2019-12-16 04:57:54 +01:00
MaximumCommonSubgraph.h
Use query molecule rather than ambiguous SMARTS for MCS matching (#2759)
2019-12-16 04:57:54 +01:00
RingMatchTableSet.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
Seed.cpp
run clang-format with c++-11 style over that
2017-04-22 17:19:10 +02:00
Seed.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
SeedSet.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
SubstructMatchCustom.cpp
clang-tidy output
2017-04-22 17:09:24 +02:00
SubstructMatchCustom.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
SubstructureCache.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
Target.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
TargetMatch.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
testFMCS_Unit.cpp
Use query molecule rather than ambiguous SMARTS for MCS matching (#2759)
2019-12-16 04:57:54 +01:00