Greg Landrum 320fa22ead SanitizeRxn code and docstring cleanup (#2491) ...

* Fix the docstring for SanitizeRxn()
Code cleanups in SanitizeRxn.cpp

* expand new docs
improve formatting of other doc strings

2019-06-14 16:39:40 -04:00

..

Catalogs

clang-tidy-7 pass (#2408)

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

ChemicalFeatures

clang-tidy-7 pass (#2408)

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

cmake

cleanup to make static builds work

2019-03-31 08:22:25 +02:00

DataManip

clang-tidy-7 pass (#2408)

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

DataStructs

clang-tidy-7 pass (#2408)

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

Demos

clang-tidy-7 pass (#2408)

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

DistGeom

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -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

clang-tidy-7 pass (#2408)

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

Geometry

clang-tidy-7 pass (#2408)

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

GraphMol

SanitizeRxn code and docstring cleanup (#2491)

2019-06-14 16:39:40 -04:00

JavaWrappers

Added rankAtoms to ROMol wrapper and added Java test case (#1540)

2019-06-07 15:57:22 +02:00

MinimalLib

Add minimal JavaScript wrapper (#2444)

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

ML

clang-tidy-7 pass (#2408)

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

Numerics

clang-tidy-7 pass (#2408)

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

PgSQL/rdkit

clang-tidy-7 pass (#2408)

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

Query

clang-tidy-7 pass (#2408)

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

RDBoost

Allow C RNG to be initialized from Python (#2376)

2019-03-30 08:43:41 -04:00

RDGeneral

Fixes #2479 (#2482)

2019-06-07 12:44:51 -04:00

RDStreams

Add java builds to azure devops (#2460)

2019-05-22 15:31:42 +02:00

SimDivPickers

clang-tidy-7 pass (#2408)

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

CMakeLists.txt

Add minimal JavaScript wrapper (#2444)

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

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

Issue1071/yapf (#1078)

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