Ricardo Rodriguez db0df54347 Fix some minor issues reported by ubsan and the compiler (#8015) ...

* initialize chiralityPossible

* fix build warning

* Fix integer overflow

* fix downcasting MarvinMolBase to MarvinMol

* Fix buildwarning

* increase PairList container to 64 bit

* fix testDict

* Update Code/RDGeneral/testDict.cpp

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* Update Code/GraphMol/CIPLabeler/rules/Pairlist.h

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* Update Code/GraphMol/CIPLabeler/rules/Pairlist.h

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* Fix catch_tests.cpp

---------

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

2024-11-20 09:09:22 +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

GitHub 7865 haspropwithvaluequery leaks (#7872)

2024-10-30 06:12:40 +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 #7685 (#7864)

2024-09-29 05:23:24 +02:00

SubstructMatch.h

Fixes #6017 (#6825)

2023-10-25 04:57:29 +02:00

SubstructUtils.cpp

Fix Mol block parser by resetting atomic number to 0 for COMPOSITE_OR query atoms (#6349) (#6768)

2024-01-23 17:13:53 +01:00

SubstructUtils.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

test1.cpp

Fix some minor issues reported by ubsan and the compiler (#8015)

2024-11-20 09:09:22 +01:00

ullmann.hpp

Run clang-format against header files (#4143)

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

UnitTestSubstruct.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

vf2.hpp

Fixes #7685 (#7864)

2024-09-29 05:23:24 +02:00