Greg Landrum 4db0bade46 Fixes $945 ...

Fixes #2420

Tests updated to reflect changes.

The existing CompleteRingsOnly code wasn't actually guaranteeing CompleteRingsOnly at all, it was just causing #2420.
The updated code actually makes sure that bonds that were ring bonds in one of the queries are ring bonds in the final MCS.
This is done via a relatively simple DFS.

2019-04-24 14:30:38 +02:00

..

Test

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

Wrap

Fixes $945

2019-04-24 14:30:38 +02:00

CMakeLists.txt

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

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

Fixes $945

2019-04-24 14:30:38 +02:00

FMCS.h

Fixes #2034 (#2035)

2018-09-17 06:50:54 +02:00

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

Fixes $945

2019-04-24 14:30:38 +02:00

MaximumCommonSubgraph.h

clang-tidy-7 pass (#2408)

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

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

Fixes $945

2019-04-24 14:30:38 +02:00