Greg Landrum 0aa1147398 Fixes #1632 (#2076) ...

* Fixes #1632

* clang-format

2018-10-02 11:41:02 -04:00

..

Enumerate

Fixes #1903 (#1971)

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

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

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

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

catch_tests.cpp

Fixes #1632 (#2076)

2018-10-02 11:41:02 -04:00

CMakeLists.txt

Fixes #1632 (#2076)

2018-10-02 11:41:02 -04:00

DaylightParser.cpp

a number of other small changes from manually reviewing the PR

2017-04-22 17:24:57 +02:00

license.txt

fix stupid typo in the copyright

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

MDLParser.cpp

clang-tidy output

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

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

Fixes #1903 (#1971)

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

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

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

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

ReactionDepict.cpp

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

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

ReactionFingerprints.cpp

Fixes #1776 (#1780)

2018-03-20 10:10:40 -04:00

ReactionFingerprints.h

Fixes #1903 (#1971)

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

ReactionParser.h

Fixes #1903 (#1971)

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

ReactionPickler.cpp

Add Properties interface to ChemicalReactions (#1848)

2018-05-05 04:39:10 +02:00

ReactionPickler.h

Fixes #1903 (#1971)

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

ReactionRunner.cpp

Fixes #1632 (#2076)

2018-10-02 11:41:02 -04:00

ReactionRunner.h

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

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

ReactionUtils.cpp

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

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

ReactionUtils.h

Fixes #1903 (#1971)

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

ReactionWriter.cpp

Fixes #1869 (#1961)

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

SanitizeRxn.cpp

send a string, not a stringstream, to the log message

2017-11-15 06:47:49 +01:00

SanitizeRxn.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

testReaction.cpp

Resolve #1269 (#1991)

2018-09-04 10:24:27 -04:00

testReactionFingerprints.cpp

- enable building DLLs on Windows (#1861)

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