Greg Landrum ba0d2146dd Fixes #1950 (#1958) ...

* Fixes #1950

* Changes from review:
- replace MolAtomList with MolAtomQuery
- support MRV SMA as well

2018-07-18 09:05:29 +02:00

..

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adding this to fix issue 2875658;

2009-10-10 06:03:31 +00:00

testExecs

initial import

2006-05-06 22:20:08 +00:00

BadFileException.h

first pass, using google style

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

BoostEndInclude.h

Get things building with gcc4.4 on centos6

2016-04-17 11:48:35 -04:00

BoostStartInclude.h

Fix/rogers fixes (#1293)

2017-02-27 16:28:12 +01:00

CMakeLists.txt

Fixes #1454 (#1838)

2018-05-13 16:34:52 +02:00

Dict.cpp

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

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

Dict.h

Fixes double free for Dict::update (#1571)

2017-09-16 04:44:50 +02:00

Exceptions.h

first pass, using google style

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

FileParseException.h

first pass, using google style

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

hanoiSort.h

Adds rdcasts where appropriate

2015-11-29 17:52:27 -05:00

Invariant.cpp

clang-tidy output

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

Invariant.h

another clang-format run

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

LocaleSwitcher.cpp

Fixes locale handling on Windows (#1892)

2018-07-18 08:29:20 +02:00

LocaleSwitcher.h

Moves LocaleSwitcher Implementation details to LocaleSwitcher.cpp

2016-01-20 17:09:58 -05:00

Ranking.h

this now builds with vs2008

2016-11-20 15:52:11 +01:00

RDAny.h

Partial support for reading CXSMILES (#1237)

2017-01-31 13:50:36 -05:00

RDLog.cpp

clang-tidy output

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

RDLog.h

get rid of a warning message

2017-07-03 05:14:18 +02:00

RDProps.h

another clang-format run

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

RDThreads.h

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

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

RDValue-doublemagic.h

Partial support for reading CXSMILES (#1237)

2017-01-31 13:50:36 -05:00

RDValue-taggedunion.h

Fixes double free for Dict::update (#1571)

2017-09-16 04:44:50 +02:00

RDValue.h

Adds RDAny (smaller generic holder) Updates all used dictionaries (#896)

2016-05-29 17:04:21 +01:00

StreamOps.h

speedup the NumBitsInCommon operation (#1785)

2018-04-02 05:01:07 +02:00

test_list.py

Issue1071/yapf (#1078)

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

testDict.cpp

Merge branch 'master' into modern_cxx

2017-10-05 05:58:38 +02:00

testRDValue.cpp

Dev/pickle properties (#1277)

2017-02-09 16:06:01 +01:00

types.cpp

Fixes #1950 (#1958)

2018-07-18 09:05:29 +02:00

types.h

Fixes #1950 (#1958)

2018-07-18 09:05:29 +02:00

utils.cpp

clang-tidy output

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

utils.h

first pass, using google style

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

versions.cpp.cmake

Made DistGeomHelpers test robust against small 3D coordinate variations (#961)

2016-06-28 20:11:31 +02:00

versions.h.cmake

Fixes #1454 (#1838)

2018-05-13 16:34:52 +02:00