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Release_2018_09
rdkit/Code/GraphMol/MolStandardize
History
Greg Landrum 2b2e5bf08f Fixes #2346 (#2347)
2019-03-26 11:29:12 +01:00
..
AcidBaseCatalog
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +02:00
FragmentCatalog
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +02:00
TautomerCatalog
Fix TautomerTransform in operator= (#2203)
2019-02-21 08:08:54 +01:00
TransformCatalog
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +02:00
Wrap
Docs/autodoc update (#2124)
2018-10-19 15:11:56 +02:00
Charge.cpp
Fixes #2346 (#2347)
2019-03-26 11:29:12 +01:00
Charge.h
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +02:00
CMakeLists.txt
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +02:00
Fragment.cpp
Dev/GSOC2018_MolVS_Integration (#2002)
2018-09-28 11:24:25 +02:00
Fragment.h
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +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
Dev/GSOC2018_MolVS_Integration (#2002)
2018-09-28 11:24:25 +02:00
MolStandardize.h
Fixes #2368 (#2369)
2019-03-26 10:34:18 +01:00
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)
2019-03-26 11:29:12 +01:00
testFragment.cpp
moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)
2018-10-11 17:35:23 -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
Address compile warnings & trivial improvements (#2097)
2018-10-12 06:39:32 -04:00
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
add export flags for the MolStandardize library (#2072)
2018-09-29 07:43:07 +02:00