Greg Landrum 6ee39bd992 Fixes #9033 (#9036) ...

Also fixes the other similarity metrics.
A very small amount of refactoring

Co-authored-by: = <=>

2026-01-30 05:00:05 +01:00

..

testData

Add a MultiFPBReader class (#909)

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

Wrap

Minor refactor of the python wrappers (#8847)

2025-10-31 13:41:18 +01:00

base64.cpp

Refactor iostreams includes (#8846)

2025-10-31 13:42:16 +01:00

base64.h

clang-tidy-7 pass (#2408)

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

BitOps.cpp

Fixes #9033 (#9036)

2026-01-30 05:00:05 +01:00

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 #9033 (#9036)

2026-01-30 05:00:05 +01:00

CMakeLists.txt

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +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

Refactor iostreams includes (#8846)

2025-10-31 13:42:16 +01:00

DiscreteDistMat.h

miscellaneous updates (#4284)

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

DiscreteValueVect.cpp

remove no-op macros and dead code (pt 4) (#8037)

2025-01-26 07:49:50 +01:00

DiscreteValueVect.h

Add Molecular Interaction Fields (#7993)

2024-12-14 17:08:43 +01:00

ExplicitBitVect.cpp

Refactor iostreams includes (#8846)

2025-10-31 13:42:16 +01:00

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

Refactor iostreams includes (#8846)

2025-10-31 13:42:16 +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

RealValueVect.cpp

Add Molecular Interaction Fields (#7993)

2024-12-14 17:08:43 +01:00

RealValueVect.h

Add Molecular Interaction Fields (#7993)

2024-12-14 17:08:43 +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

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

testFPB.cpp

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

testMultiFPB.cpp

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

Utils.cpp

Refactor iostreams includes (#8846)

2025-10-31 13:42:16 +01:00