Franz Waibl 74b2f5813b Remove check for ring information from Atom::Match (#6063) ...

In high-symmetry cases where the symmetric SSSR does not find all
possible rings, substructure searches can fail because of this check.
Removing it fixes those cases, but is likely to decrease the performance
of substructure matching.

Also, adds a unit test where the old code fails

Co-authored-by: Franz Waibl <waiblfranz@gmail.com>

2023-02-23 05:27:42 +01:00

..

testExecs

Unset executable flag

2019-10-10 20:18:43 +09:00

bench.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

bond-query.cdxml

Unset executable flag

2019-10-10 20:18:43 +09:00

catch_tests.cpp

[WIP] Clean up the warning landscape (#5048)

2022-03-01 05:00:25 +01:00

CMakeLists.txt

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

cmd_match.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

list-query.cdxml

Unset executable flag

2019-10-10 20:18:43 +09:00

regress.txt

Unset executable flag

2019-10-10 20:18:43 +09:00

SubstructMatch.cpp

Fixes #5210 (#5408)

2022-07-11 11:20:03 +02:00

SubstructMatch.h

silence warnings in MSVC compliatons (#4796)

2021-12-15 04:54:11 +01:00

SubstructUtils.cpp

save one search (#4566)

2021-09-28 04:37:24 +02:00

SubstructUtils.h

Enhanced generateDepictionMatching2DStructure functionality (#3811)

2021-02-24 05:37:31 +01:00

test1.cpp

Remove check for ring information from Atom::Match (#6063)

2023-02-23 05:27:42 +01:00

ullmann.hpp

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

UnitTestSubstruct.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

vf2.hpp

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00