Brian Kelley b76af93513 Dev/add update props api (#1479) ...

* Adds RDProps updateProps API point

* AdjustQuery now copies over original atom data to the query ato

* Preserves existing data on the replacing atom

* Exposes preserveProps to Python replaceAtom/Bond

2017-07-10 04:36:12 +02:00

..

Catalogs

clear up a bunch of windows warnings (#1086)

2016-10-04 06:46:07 -04:00

ChemicalFeatures

Issue1071/yapf (#1078)

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

cmake/Modules

- updated FindCairo.cmake (#1455)

2017-06-29 20:33:12 +02:00

DataManip

Issue1071/yapf (#1078)

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

DataStructs

Partial support for reading CXSMILES (#1237)

2017-01-31 13:50:36 -05:00

Demos

Issue1071/yapf (#1078)

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

DistGeom

Fix github1240 (#1396)

2017-04-18 02:33:23 -04:00

doxygen

update doxygen files and add new logo without text

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

Features

Issue1071/yapf (#1078)

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

ForceField

Fix github1240 (#1396)

2017-04-18 02:33:23 -04:00

Geometry

Issue1071/yapf (#1078)

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

GraphMol

Dev/add update props api (#1479)

2017-07-10 04:36:12 +02:00

JavaWrappers

Some cleanups to make Travis builds faster (#1464)

2017-06-18 21:55:24 -04:00

ML

Issue1071/yapf (#1078)

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

Numerics

Issue1071/yapf (#1078)

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

PgSQL/rdkit

- fixes PgSQL CMakeLists.txt to enable conda build on Windows (#1457)

2017-06-29 20:31:41 +02:00

Query

Issue1071/yapf (#1078)

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

RDBoost

Resolve #1323 (#1327)

2017-02-22 07:23:47 -05:00

RDGeneral

Dev/add update props api (#1479)

2017-07-10 04:36:12 +02:00

SimDivPickers

fixes #1421 (#1422)

2017-05-22 17:29:00 -04:00

CMakeLists.txt

- added support for building the rdkit PostgreSQL cartridge within CMake

2016-02-21 22:00:10 +00:00

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