Greg Landrum 435521453c Fixes #2346 (#2347)

2019-03-14 09:48:40 -04:00

..

AcidBaseCatalog

Change boost int types to std types (#2233)

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

FragmentCatalog

Change boost int types to std types (#2233)

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

TautomerCatalog

Change boost int types to std types (#2233)

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

TransformCatalog

Change boost int types to std types (#2233)

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

Wrap

Add a skip_all_if_match option to the FragmentRemover (#2338)

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

catch_tests.cpp

Add a skip_all_if_match option to the FragmentRemover (#2338)

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

Charge.cpp

Fixes #2346 (#2347)

2019-03-14 09:48:40 -04:00

Charge.h

add export flags for the MolStandardize library (#2072)

2018-09-29 07:43:07 +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

Add a skip_all_if_match option to the FragmentRemover (#2338)

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

Fragment.h

Add a skip_all_if_match option to the FragmentRemover (#2338)

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

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

Dev/GSOC2018_MolVS_Integration (#2002)

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

MolStandardize.h

add export flags for the MolStandardize library (#2072)

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

Normalize.cpp

Address compile warnings & trivial improvements (#2097)

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

Normalize.h

add export flags for the MolStandardize library (#2072)

2018-09-29 07:43:07 +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

Fixes #2346 (#2347)

2019-03-14 09:48:40 -04:00

testFragment.cpp

Add a skip_all_if_match option to the FragmentRemover (#2338)

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

testNormalize.cpp

Address compile warnings & trivial improvements (#2097)

2018-10-12 06:39:32 -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

Address compile warnings & trivial improvements (#2097)

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

Validate.h

Build warnings revisited (#2318)

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