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802ea89ea792d60beba276cb9098983e8a3cbbdb
rdkit/Code/GraphMol/Fingerprints
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Greg Landrum 336c3a5103 add a version for the pattern fingerprint (#3496)
2020-10-15 15:33:19 +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
Cleanup some cmake dependencies (#3077)
2020-04-17 14:34:23 +02:00
AtomPairGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
AtomPairGenerator.h
add the appropriate exports for the new fingerprint code (#2098)
2018-10-08 11:10:23 +02:00
AtomPairs.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
AtomPairs.h
Modernization: use nullptr (#3143)
2020-05-25 09:40:01 +02:00
catch_tests.cpp
Correct TEST_CASE tags for Catch2 (#3069)
2020-04-08 15:43:38 +02:00
CMakeLists.txt
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
FingerprintGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
FingerprintGenerator.h
Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)
2020-04-01 14:30:07 +02:00
Fingerprints.cpp
Modernize deprecated header inclusion (#3137)
2020-05-04 10:40:57 +02:00
Fingerprints.h
add a version for the pattern fingerprint (#3496)
2020-10-15 15:33:19 +02:00
FingerprintUtil.cpp
Modernize deprecated header inclusion (#3137)
2020-05-04 10:40:57 +02:00
FingerprintUtil.h
Modernization: use nullptr (#3143)
2020-05-25 09:40:01 +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
Modernize deprecated header inclusion (#3137)
2020-05-04 10:40:57 +02:00
MHFP.h
Fixed final requests from PR
2020-03-19 23:40:10 +01:00
MorganFingerprints.cpp
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
MorganFingerprints.h
Modernization: use nullptr (#3143)
2020-05-25 09:40:01 +02:00
MorganGenerator.cpp
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
MorganGenerator.h
a bunch of changes to the new fingerprinter code (#2679)
2019-10-10 10:14:47 -04:00
PatternFingerprints.cpp
Fixes for aromatic bond fuzzy queries (#3328)
2020-08-10 05:00:19 +02:00
RDKitFPGenerator.cpp
Modernize deprecated header inclusion (#3137)
2020-05-04 10:40:57 +02:00
RDKitFPGenerator.h
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
test1.cpp
Merge branch 'MorseAtomFingerprint' of https://github.com/thegodone/rdkit into MorseAtomFingerprint
2020-03-04 12:35:32 +01:00
testFingerprintGenerators.cpp
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
testMHFPFingerprint.cpp
Fixed final requests from PR
2020-03-19 23:40:10 +01:00
TopologicalTorsionGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
TopologicalTorsionGenerator.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00