Greg Landrum 87786c08b5 Merge branch 'master' into modern_cxx ...

# Conflicts:
#	.travis.yml
#	Code/GraphMol/FileParsers/MolFileParser.cpp
#	Code/GraphMol/FileParsers/MolFileStereochem.cpp
#	Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp
#	Code/GraphMol/MolAlign/testMolAlign.cpp
#	Code/GraphMol/MolDraw2D/MolDraw2D.cpp
#	Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
#	Code/GraphMol/QueryOps.cpp
#	Code/GraphMol/ROMol.cpp
#	Code/GraphMol/SmilesParse/test.cpp
#	Code/GraphMol/Trajectory/Trajectory.cpp
#	Code/GraphMol/Wrap/Atom.cpp
#	Code/GraphMol/Wrap/Bond.cpp
#	Code/GraphMol/new_canon.cpp
#	Code/RDGeneral/testDict.cpp
#	Code/SimDivPickers/Wrap/MaxMinPicker.cpp

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

..

test

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

Wrap

yapf formatting of recent changes to Python code in rdkit and Code

2016-10-24 11:57:08 -04:00

AtomSymbolMatch.cpp

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

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

AugmentedAtomData.cpp

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

CMakeLists.txt

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

Pattern.cpp

a number of other small changes from manually reviewing the PR

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

Pattern.h

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

ReCharge.cpp

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

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

ReCharge.h

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

Stereo.cpp

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

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

Stereo.h

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

StripSmallFragments.cpp

Fixes github1497 (#1555)

2017-09-11 08:37:32 -04:00

StripSmallFragments.h

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

StructChecker.cpp

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

StructChecker.h

update documentation

2016-10-24 08:45:58 +02:00

StructCheckerOptions.cpp

a number of other small changes from manually reviewing the PR

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

StructureFlags.cpp

clang-tidy output

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

Tautomer.cpp

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

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

Tautomer.h

Add StructChecker functionality

2016-10-24 08:00:07 +02:00

testStructChecker.cpp

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

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

Utilites.cpp

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

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

Utilites.h

Add StructChecker functionality

2016-10-24 08:00:07 +02:00