Eisuke Kawashima 78aac3c1bc Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

..

Enumerate

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

testData

Molecule metadata in PNGs (#3316)

2020-08-25 07:51:18 +02:00

tutorial

Dev/reaction enumeration (#1111)

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

Wrap

fixes #4162 (#4171)

2021-05-27 07:29:52 -04:00

catch_tests.cpp

Improvements to reaction chirality handling (#3412)

2020-09-18 09:33:26 +02:00

CMakeLists.txt

Molecule metadata in PNGs (#3316)

2020-08-25 07:51:18 +02:00

DaylightParser.cpp

Mem checkup (#3083)

2020-04-17 17:48:58 +02:00

license.txt

fix stupid typo in the copyright

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

MDLParser.cpp

Allow passing explicit removeHs, sanitize and strict flags to the MDL rxn parser (#3411)

2020-09-18 08:01:58 +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

PNGParser.cpp

Fixes a number of issues flagged by clang (#3498)

2020-10-15 15:03:34 +02:00

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

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

Reaction.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ReactionDepict.cpp

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

ReactionFingerprints.cpp

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

ReactionFingerprints.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ReactionParser.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ReactionPickler.cpp

fixes #4162 (#4171)

2021-05-27 07:29:52 -04:00

ReactionPickler.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ReactionRunner.cpp

Fixes #4114 (#4207)

2021-06-06 07:46:06 +02:00

ReactionRunner.h

clang-tidy-7 pass (#2408)

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

ReactionUtils.cpp

Improvements to reaction chirality handling (#3412)

2020-09-18 09:33:26 +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

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

SanitizeRxn.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

testReaction.cpp

Fixes #4114 (#4207)

2021-06-06 07:46:06 +02:00

testReactionFingerprints.cpp

Change boost int types to std types (#2233)

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