Greg Landrum d0c8c3cf8f Fixes #2411 and #2414 (#2412) ...

* clang-tidy-7 pass

* Fixes #2411

* Fixes #2414

2019-04-19 21:51:41 -04:00

..

AcidBaseCatalog

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

FragmentCatalog

fix (#2406)

2019-04-15 14:15:51 +01:00

TautomerCatalog

clang-tidy-7 pass (#2408)

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

TransformCatalog

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

Wrap

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

catch_tests.cpp

Fixes #2411 and #2414 (#2412)

2019-04-19 21:51:41 -04:00

Charge.cpp

Fixes #2392 (#2393)

2019-04-06 07:16:55 -04:00

Charge.h

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

CMakeLists.txt

Add a skip_all_if_match option to the FragmentRemover (#2338)

2019-03-14 09:32:08 -04:00

Fragment.cpp

Fixes #2411 and #2414 (#2412)

2019-04-19 21:51:41 -04:00

Fragment.h

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

Metal.cpp

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

Metal.h

add export flags for the MolStandardize library (#2072)

2018-09-29 07:43:07 +02:00

MolStandardize.cpp

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

MolStandardize.h

Fixes: #2368 (#2373)

2019-03-29 21:03:21 -04:00

Normalize.cpp

Fixes #2411 and #2414 (#2412)

2019-04-19 21:51:41 -04:00

Normalize.h

Allow components of the MolStandardize code to be initialized from streams (#2385)

2019-04-03 04:48:05 +02:00

Tautomer.cpp

Address compile warnings & trivial improvements (#2097)

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

Tautomer.h

add export flags for the MolStandardize library (#2072)

2018-09-29 07:43:07 +02:00

test1.cpp

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

test2.cpp

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

testCharge.cpp

- small fixes to get DLLs to build on Windows (#2356)

2019-03-18 05:33:39 +01:00

testFragment.cpp

fix (#2406)

2019-04-15 14:15:51 +01:00

testNormalize.cpp

Fixes #2411 and #2414 (#2412)

2019-04-19 21:51:41 -04:00

testPCS.cpp

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

testTautomer.cpp

Fix (most of) mem problems (#2123)

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

testValidate.cpp

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

Validate.cpp

Fixes: #2368 (#2373)

2019-03-29 21:03:21 -04:00

Validate.h

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00