Greg Landrum cb55f6b979 Fixes #2749 (#2750) ...

* Switch to using numTotalHs() instead of numExplicitHs()

* Fixes #2749

* changes in response to review

2019-10-31 07:24:34 -04:00

..

Catalogs

optimization of the MolStandardize code (#2621)

2019-08-28 18:08:29 -04:00

ChemicalFeatures

Fix typo [ci skip]

2019-10-17 17:45:50 +09:00

cmake

Fix typo [ci skip]

2019-10-17 17:45:50 +09:00

DataManip

Fix typo [ci skip]

2019-10-17 17:45:50 +09:00

DataStructs

Code cleanups from PVS/Studio (#2531)

2019-07-13 07:25:37 +02:00

Demos

Unset executable flag

2019-10-10 20:18:43 +09:00

DistGeom

Fixes #2516 (#2519)

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

doxygen

update doxygen files and add new logo without text

2013-07-11 07:19:33 +02:00

Features

clang-tidy-7 pass (#2408)

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

ForceField

Fixes a bug in TorsionConstraint (#2732)

2019-10-24 16:03:58 +02:00

Geometry

Fix typo [ci skip]

2019-10-17 17:45:50 +09:00

GraphMol

Fixes #2749 (#2750)

2019-10-31 07:24:34 -04:00

JavaWrappers

Merge branch 'e-kwsm-misc'

2019-10-25 04:49:23 +02:00

MinimalLib

Adds additional capabilities to the minimal JS wrapper (#2676)

2019-10-03 18:00:49 -04:00

ML

Unset executable flag

2019-10-10 20:18:43 +09:00

Numerics

Fix typo [ci skip]

2019-10-17 17:45:50 +09:00

PgSQL/rdkit

update expected cartridge test results

2019-10-18 06:11:24 +02:00

Query

Unset executable flag

2019-10-10 20:18:43 +09:00

RDBoost

raise ValueErrors when constructing streambuffs with the incorrect type. (#2592)

2019-08-19 11:27:47 -04:00

RDGeneral

Unset executable flag

2019-10-10 20:18:43 +09:00

RDStreams

Get zlib-free linking working on windows (#2729)

2019-10-24 13:36:24 +02:00

SimDivPickers

- removed RDKIT_SIMDIVPICKERS_EXPORT which should not be there (#2740)

2019-10-28 17:18:32 -04:00

CMakeLists.txt

Add minimal JavaScript wrapper (#2444)

2019-06-06 08:45:21 +02:00

notes.txt

Unset executable flag

2019-10-10 20:18:43 +09:00

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00