Greg Landrum fe745cfc04 ScaffoldNetwork rearrangements (#2985) ...

* backup

* rearrange the network to make it cleaner

- GenericBond scaffolds are now directly connected to the corresponding Generic scaffold
- Attachment points are no longer removed from Generic (or GenericBond) scaffolds

* remove dead code

2020-03-06 13:51:38 +01:00

..

Catalogs

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

ChemicalFeatures

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

cmake

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

DataManip

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

DataStructs

Override what() in exceptions (Addresses #2920) (#2928)

2020-02-05 08:20:17 +01:00

Demos

Override what() in exceptions (Addresses #2920) (#2928)

2020-02-05 08:20:17 +01:00

DistGeom

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

doxygen

update doxygen files and add new logo without text

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

Features

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

ForceField

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

Geometry

Override what() in exceptions (Addresses #2920) (#2928)

2020-02-05 08:20:17 +01:00

GraphMol

ScaffoldNetwork rearrangements (#2985)

2020-03-06 13:51:38 +01:00

JavaWrappers

Add a scaffold network implementation (#2911)

2020-02-11 08:21:01 -05:00

MinimalLib

add add_hs() and remove_hs() to JS wrappers (#2986)

2020-03-05 15:27:48 +01:00

ML

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

Numerics

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

PgSQL/rdkit

Override what() in exceptions (Addresses #2920) (#2928)

2020-02-05 08:20:17 +01:00

Query

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

RDBoost

Add a scaffold network implementation (#2911)

2020-02-11 08:21:01 -05:00

RDGeneral

Don't switch locales unless really necessary (float/double) (#2958)

2020-02-19 07:44:50 -05:00

RDStreams

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

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

SimDivPickers

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

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