Greg Landrum 108d84ab1e Switch from boost::thread to std::thread (#1745) ...

* boost::thread mostly gone... still need to get rid of once
everything compiles

* replace boost::call_once

* remove link-time dependency on boost::thread

* first pass at using async

* switch to using async everywhere

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

..

test_data

[MRG] Fix PDB reader + add argument to toggle proximity bonding (#1629)

2017-11-15 06:53:31 +01:00

Wrap

Fixes #1749 (#1750)

2018-02-15 05:39:02 +01:00

AUTOCORR2D.cpp

Cleanup a bunch of compiler warnings (#1697)

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

AUTOCORR2D.h

Fixes github #1702 (#1706)

2018-01-04 18:32:19 +01:00

AUTOCORR3D.cpp

Cleanup a bunch of compiler warnings (#1697)

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

AUTOCORR3D.h

another clang-format run

2017-10-12 06:42:15 +02:00

CMakeLists.txt

Fixes github #1702 (#1706)

2018-01-04 18:32:19 +01:00

ConnectivityDescriptors.cpp

Removes ATOM/BOND_SPTR in boost::graph in favor of raw pointers (#1713)

2018-01-07 14:19:47 -05:00

ConnectivityDescriptors.h

first pass, using google style

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

Crippen.cpp

run clang-format with c++-11 style over that

2017-04-22 17:19:10 +02:00

Crippen.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Data3Ddescriptors.cpp

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

Data3Ddescriptors.h

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

datas.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

GETAWAY.cpp

Cleanup a bunch of compiler warnings (#1697)

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

GETAWAY.h

another clang-format run

2017-10-12 06:42:15 +02:00

Lipinski.cpp

Removes ATOM/BOND_SPTR in boost::graph in favor of raw pointers (#1713)

2018-01-07 14:19:47 -05:00

Lipinski.h

Add feature for #1375 (#1384)

2017-03-28 16:02:21 -04:00

MolData3Ddescriptors.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

MolData3Ddescriptors.h

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

MolDescriptors3D.h

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

MolDescriptors.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

MolDescriptors.h

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

MolSurf.cpp

first pass, using google style

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

MolSurf.h

first pass, using google style

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

MORSE.cpp

Cleanup a bunch of compiler warnings (#1697)

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

MORSE.h

another clang-format run

2017-10-12 06:42:15 +02:00

MQN.cpp

Removes ATOM/BOND_SPTR in boost::graph in favor of raw pointers (#1713)

2018-01-07 14:19:47 -05:00

MQN.h

first pass, using google style

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

PBF.cpp

clang-tidy output

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

PBF.h

Add some 3D molecular descriptors (#1084)

2016-10-10 08:34:08 -04:00

PMI.cpp

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

PMI.h

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

Property.cpp

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

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

Property.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

RDF.cpp

Cleanup a bunch of compiler warnings (#1697)

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

RDF.h

another clang-format run

2017-10-12 06:42:15 +02:00

RegisterDescriptor.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

test3D_old.py

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

test3D.cpp

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

test3D.cpp.hold

[MRG] Fix PDB reader + add argument to toggle proximity bonding (#1629)

2017-11-15 06:53:31 +01:00

test3D.py

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

test_list.py

Issue1071/yapf (#1078)

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

test.cpp

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

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

testAUTOCORR2D.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

testAUTOCORR3D.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

testGETAWAY.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

testMORSE.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

testPBF.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

testRDF.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

testSMWHIM.txt

Add a collection of new 3D descriptors (#1467)

2017-07-02 11:28:48 +02:00

testWHIM.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

USRDescriptor.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

USRDescriptor.h

another clang-format run

2017-10-12 06:42:15 +02:00

WHIM.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

WHIM.h

another clang-format run

2017-10-12 06:42:15 +02:00