Eisuke Kawashima 013ba4f21d Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

..

testData

forgot to add the test files

2016-03-15 02:51:20 -07:00

testExecs

Unset executable flag

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

Wrap

Fix a couple of problems with fingerprint count simulation (#4228)

2021-06-18 12:55:47 -04:00

AtomPairGenerator.cpp

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

AtomPairGenerator.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

AtomPairs.cpp

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

AtomPairs.h

Modernization: use nullptr (#3143)

2020-05-25 09:40:01 +02:00

catch_tests.cpp

Fix a couple of problems with fingerprint count simulation (#4228)

2021-06-18 12:55:47 -04:00

CMakeLists.txt

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

FingerprintGenerator.cpp

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

FingerprintGenerator.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

Fingerprints.cpp

Fixes #4212 (#4213)

2021-06-08 09:36:30 -04:00

Fingerprints.h

add support for generating pattern fps for MolBundles (#3665)

2020-12-29 07:33:09 +01:00

FingerprintUtil.cpp

Fixes #4127 (#4129)

2021-05-18 15:39:15 +02:00

FingerprintUtil.h

Run clang-format against header files (#4143)

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

MACCS.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

MACCS.h

clang-tidy-7 pass (#2408)

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

MHFP.cpp

Fixes #2788: kekuleSmiles=true not producing kekule SMILES (#3943)

2021-03-19 06:23:07 +01:00

MHFP.h

Run clang-format against header files (#4143)

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

MorganFingerprints.cpp

cleanup a bunch of compiler warnings (#3849)

2021-02-26 05:10:02 +01:00

MorganFingerprints.h

Modernization: use nullptr (#3143)

2020-05-25 09:40:01 +02:00

MorganGenerator.cpp

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

MorganGenerator.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

PatternFingerprints.cpp

cleanup a bunch of compiler warnings (#3849)

2021-02-26 05:10:02 +01:00

RDKitFPGenerator.cpp

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

RDKitFPGenerator.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

test1.cpp

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

testFingerprintGenerators.cpp

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

testMHFPFingerprint.cpp

Fixed final requests from PR

2020-03-19 23:40:10 +01:00

TopologicalTorsionGenerator.cpp

Add bit information to generalized FP generator (#3858)

2021-03-06 04:25:51 +01:00

TopologicalTorsionGenerator.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00