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

..

testData

Add a MultiFPBReader class (#909)

2016-05-29 09:38:14 -04:00

Wrap

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

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

base64.cpp

Cleanup of Code/DataStructs (#7365)

2024-04-21 06:41:52 +02:00

base64.h

clang-tidy-7 pass (#2408)

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

BitOps.cpp

Use smart pointer for bits. (#7884)

2024-10-05 07:30:55 +02:00

BitOps.h

Run clang-format across everything (#7849)

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

BitVect.cpp

Run clang-format across everything (#7849)

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

BitVect.h

Run clang-format across everything (#7849)

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

BitVects.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

BitVectUtils.h

clang-tidy-7 pass (#2408)

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

catch_tests.cpp

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

CMakeLists.txt

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

DatastructsException.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

DatastructsStreamOps.h

switch from boost::any to std::any (#6662)

2023-08-25 17:55:33 +02:00

DiscreteDistMat.cpp

Run clang-format against cpp (#4358)

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

DiscreteDistMat.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

DiscreteValueVect.cpp

Cleanup of Code/DataStructs (#7365)

2024-04-21 06:41:52 +02:00

DiscreteValueVect.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

ExplicitBitVect.cpp

Use smart pointer for bits. (#7884)

2024-10-05 07:30:55 +02:00

ExplicitBitVect.h

Use smart pointer for bits. (#7884)

2024-10-05 07:30:55 +02:00

FPBReader.cpp

Move to C++17 (#5155)

2022-04-12 13:53:07 +02:00

FPBReader.h

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

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

MultiFPBReader.cpp

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

MultiFPBReader.h

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

SparseBitVect.cpp

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

SparseBitVect.h

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

SparseIntVect.h

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

testDatastructs.cpp

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

testFPB.cpp

Run clang-format against cpp (#4358)

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

testMultiFPB.cpp

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

Utils.cpp

Cleanup of Code/DataStructs (#7365)

2024-04-21 06:41:52 +02:00