gedeck e9af48ffd7 Issue1071/yapf (#1078) ...

* Issue #1071: add yapf configuration file

* yapf formatting of Code directory

* yapf formatting of Contrib directory

* yapf formatting of Data directory

* yapf formatting of Docs directory

* yapf formatting of External directory

* yapf formatting of Projects directory

* yapf formatting of Regress directory

* yapf formatting of Scripts directory

* yapf formatting of Web directory

* yapf formatting of rdkit directory

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

..

testData

Bugfix in the chirality handling of chemical reactions

2015-01-09 10:34:28 +01:00

Wrap

Issue1071/yapf (#1078)

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

CMakeLists.txt

Updates PreprocessReaction to the C++ version

2016-04-28 15:21:11 -04:00

DaylightParser.cpp

Add some utils functions to ChemReactions

2016-04-01 10:14:21 +02:00

license.txt

fix stupid typo in the copyright

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

MDLParser.cpp

first pass, using google style

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

MoleculeParser.cpp

first pass, using google style

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

PreprocessRxn.cpp

Adds PreprocessReactions

2016-04-28 16:33:50 -04:00

PreprocessRxn.h

Adds PreprocessReactions

2016-04-28 16:33:50 -04:00

Reaction.cpp

Fixes #975 (#976)

2016-07-21 15:22:32 -04:00

Reaction.h

ChemReactions: Bugfix in copy constructor (#996)

2016-07-27 10:22:13 -04:00

ReactionDepict.cpp

first pass, using google style

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

ReactionFingerprints.cpp

first pass, using google style

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

ReactionFingerprints.h

first pass, using google style

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

ReactionParser.h

first pass, using google style

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

ReactionPickler.cpp

first pass, using google style

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

ReactionPickler.h

first pass, using google style

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

ReactionRunner.cpp

stop including isotope labels on dummies from reduceProductToSideChains()

2016-04-08 03:38:06 +02:00

ReactionRunner.h

Expose generateOneProductSet, initProduct and rename the latter to convertTemplateToMol.

2016-01-27 11:14:50 -05:00

ReactionUtils.cpp

Add some utils functions to ChemReactions

2016-04-01 10:14:21 +02:00

ReactionUtils.h

Add some utils functions to ChemReactions

2016-04-01 10:14:21 +02:00

ReactionWriter.cpp

first pass, using google style

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

test_list.py

Issue1071/yapf (#1078)

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

testReaction.cpp

ChemReactions: Bugfix in copy constructor (#996)

2016-07-27 10:22:13 -04:00

testReactionFingerprints.cpp

first pass, using google style

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