Greg Landrum 7e6600f3be Fixes #2516 (#2519) ...

* RDStreams now installed properly

* skip Wrap directories if RDK_BUILD_PYTHON_WRAPPERS is not set

Fixes #2516

2019-06-28 09:57:00 -04:00

..

Enumerate

clang-tidy-7 pass (#2408)

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

testData

Fixes #1950 (#1958)

2018-07-17 09:11:02 -04:00

tutorial

Dev/reaction enumeration (#1111)

2016-11-05 14:42:52 +01:00

Wrap

SanitizeRxn code and docstring cleanup (#2491)

2019-06-14 16:39:40 -04:00

catch_tests.cpp

Fixes #2427 (#2429)

2019-05-15 04:46:06 +02:00

CMakeLists.txt

Fixes #2516 (#2519)

2019-06-28 09:57:00 -04:00

DaylightParser.cpp

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

license.txt

fix stupid typo in the copyright

2007-09-29 06:34:30 +00:00

MDLParser.cpp

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

MoleculeParser.cpp

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

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

PreprocessRxn.cpp

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

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

PreprocessRxn.h

clang-tidy-7 pass (#2408)

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

Reaction.cpp

Add a default for maximum products generated by a reaction (maxProducts=1000) (#2069)

2018-09-29 07:13:11 +02:00

Reaction.h

clang-tidy-7 pass (#2408)

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

ReactionDepict.cpp

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

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

ReactionFingerprints.cpp

Change boost int types to std types (#2233)

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

ReactionFingerprints.h

clang-tidy-7 pass (#2408)

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

ReactionParser.h

clang-tidy-7 pass (#2408)

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

ReactionPickler.cpp

Change boost int types to std types (#2233)

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

ReactionPickler.h

clang-tidy-7 pass (#2408)

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

ReactionRunner.cpp

Fixes #2427 (#2429)

2019-05-15 04:46:06 +02:00

ReactionRunner.h

clang-tidy-7 pass (#2408)

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

ReactionUtils.cpp

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

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

ReactionUtils.h

clang-tidy-7 pass (#2408)

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

ReactionWriter.cpp

Fixes #1869 (#1961)

2018-07-18 09:06:21 +02:00

SanitizeRxn.cpp

SanitizeRxn code and docstring cleanup (#2491)

2019-06-14 16:39:40 -04:00

SanitizeRxn.h

clang-tidy-7 pass (#2408)

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

test_list.py

Issue1071/yapf (#1078)

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

testReaction.cpp

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00

testReactionFingerprints.cpp

Change boost int types to std types (#2233)

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