Greg Landrum 6782634bf8 Part of a fix for #1993 (#1994) ...

* add an additional equality test to testDatastructs
(can never have too many tests!)

* automatically run assignStereochemistry() for chiral fingerprints
This currently runs for the three FP types that support chirality: MFP, AP, and TT

2018-08-12 17:04:01 -04:00

..

testData

Add a MultiFPBReader class (#909)

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

Wrap

Fixes #1903 (#1971)

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

base64.cpp

Cleanup a bunch of compiler warnings (#1697)

2017-12-22 12:59:52 +01:00

base64.h

Fixes #1903 (#1971)

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

BitOps.cpp

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

BitOps.h

Fixes #1903 (#1971)

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

BitVect.cpp

first pass, using google style

2015-11-14 14:58:11 +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

Fixes #1903 (#1971)

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

CMakeLists.txt

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

DatastructsException.h

Fixes #1903 (#1971)

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

DiscreteDistMat.cpp

first pass, using google style

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

DiscreteDistMat.h

Fixes #1903 (#1971)

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

DiscreteValueVect.cpp

clang-tidy output

2017-04-22 17:09:24 +02:00

DiscreteValueVect.h

Fixes #1903 (#1971)

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

ExplicitBitVect.cpp

clang-tidy output

2017-04-22 17:09:24 +02:00

ExplicitBitVect.h

Fixes #1903 (#1971)

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

FPBReader.cpp

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

FPBReader.h

Fixes #1903 (#1971)

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

MultiFPBReader.cpp

Switch from boost::thread to std::thread (#1745)

2018-02-22 03:43:07 +01:00

MultiFPBReader.h

Fixes #1903 (#1971)

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

SparseBitVect.cpp

clang-tidy output

2017-04-22 17:09:24 +02:00

SparseBitVect.h

Fixes #1903 (#1971)

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

SparseIntVect.h

Fixes #1903 (#1971)

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

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

testDatastructs.cpp

Part of a fix for #1993 (#1994)

2018-08-12 17:04:01 -04:00

testFPB.cpp

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

testMultiFPB.cpp

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

Utils.cpp

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00