Greg Landrum 5712176605 Implement the two deprecations that were planned for the 2020.09 release cycle (#3047) ...

* Deprecation: planned removal of .message() and .getMessage() methods

* Deprecation: planned removal of old MolHash code

* document deprecations

* output the diffs when the psql tests fail

* remove .message() from SWIG wrappers

note that the KeyError doesn't work properly. We should clean up the the exceptions here anyway

* typo

2020-04-01 14:30:07 +02:00

..

test

Add StructChecker functionality

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

Wrap

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

AtomSymbolMatch.cpp

patch from Roger (#1856)

2018-05-10 05:03:57 +02:00

AugmentedAtomData.cpp

Add StructChecker functionality

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

CMakeLists.txt

Fixes #2516 (#2519)

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

Pattern.cpp

Fix (most of) mem problems (#2123)

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

Pattern.h

clang-tidy-7 pass (#2408)

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

ReCharge.cpp

Address compile warnings & trivial improvements (#2097)

2018-10-12 06:39:32 -04:00

ReCharge.h

clang-tidy-7 pass (#2408)

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

Stereo.cpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

Stereo.h

clang-tidy-7 pass (#2408)

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

StripSmallFragments.cpp

another clang-format run

2017-10-12 06:42:15 +02:00

StripSmallFragments.h

clang-tidy-7 pass (#2408)

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

StructChecker.cpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

StructChecker.h

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

StructCheckerOptions.cpp

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

StructCheckerOptions.h

clang-tidy-7 pass (#2408)

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

StructureFlags.cpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

Tautomer.cpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

Tautomer.h

clang-tidy-7 pass (#2408)

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

testStructChecker.cpp

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

Utilites.cpp

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

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

Utilites.h

clang-tidy-7 pass (#2408)

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