Greg Landrum d8afc9f027 A couple changes to speedup bulk similarity calculations from Python (#3574) ...

* add a wrapper for bulk nearest-neighbor calculations
A bit of minor refactoring

* header fix

* add tests for new neighbor functionality

* add the rest of the similarity metrics

2020-12-10 05:33:32 +01:00

..

testData

Add a MultiFPBReader class (#909)

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

Wrap

A couple changes to speedup bulk similarity calculations from Python (#3574)

2020-12-10 05:33:32 +01:00

base64.cpp

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

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

base64.h

clang-tidy-7 pass (#2408)

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

BitOps.cpp

Avoid C preprocessor macros (#3138)

2020-05-05 08:08:20 +02:00

BitOps.h

clang-tidy-7 pass (#2408)

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

BitVect.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

BitVect.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +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

CMakeLists.txt

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

DatastructsException.h

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

DatastructsStreamOps.h

clang-tidy-7 pass (#2408)

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

DiscreteDistMat.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

DiscreteDistMat.h

clang-tidy-7 pass (#2408)

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

DiscreteValueVect.cpp

Address build warnings (#3082)

2020-04-17 14:40:15 +02:00

DiscreteValueVect.h

Address build warnings (#3082)

2020-04-17 14:40:15 +02:00

ExplicitBitVect.cpp

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

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

ExplicitBitVect.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

FPBReader.cpp

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

FPBReader.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

MultiFPBReader.cpp

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

MultiFPBReader.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

SparseBitVect.cpp

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

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

SparseBitVect.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

SparseIntVect.h

Address build warnings (#3082)

2020-04-17 14:40:15 +02:00

testDatastructs.cpp

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

testFPB.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

testMultiFPB.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

Utils.cpp

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

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