PatrickPenner 08bf105e5d Allow inclusion of molecule names in ScaffoldNetwork (#7956) ...

* Add molecules names into ScaffoldNetwork

- added parameter to ScaffoldNetwork Params to include molecule names in the
  ScaffoldNetwork nodes corresponding to input molecules

* Document _Name assumption

- fixed a binary and instead of a boolean and

* Forgot has prop check before access

* Misunderstood semantics of CHECK vs. REQUIRE

2024-10-30 06:11:30 +01:00

..

Catalogs

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

ChemicalFeatures

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

cmake

Some cmake cleanup work (#7720)

2024-08-16 17:11:31 +02:00

DataManip

One final round of mem errors (#7943)

2024-10-29 06:46:43 +01:00

DataStructs

Use smart pointer for bits. (#7884)

2024-10-05 07:30:55 +02:00

Demos

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

DistGeom

Do the announced deprecations (#7910)

2024-10-11 06:42:18 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ForceField

One final round of mem errors (#7943)

2024-10-29 06:46:43 +01:00

Fuzz

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Geometry

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

GraphMol

Allow inclusion of molecule names in ScaffoldNetwork (#7956)

2024-10-30 06:11:30 +01:00

JavaWrappers

Fixes a regression introduced in #7582 which made all SWIG enums become type-unsafe (#7972)

2024-10-30 06:08:14 +01:00

MinimalLib

Replace awful enum reflection macros with Better Enums (#7913)

2024-10-25 08:17:07 +02:00

ML

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

Numerics

One final round of mem errors (#7943)

2024-10-29 06:46:43 +01:00

PgSQL/rdkit

Fix 4.3.0--4.4.0 sql upgrade script (#7774)

2024-10-25 04:57:33 +02:00

Query

clang-tidy: readability-simplify-boolean-expr (#4639)

2022-03-17 13:50:50 +01:00

RDBoost

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

RDGeneral

Replace awful enum reflection macros with Better Enums (#7913)

2024-10-25 08:17:07 +02:00

RDStreams

cmake cleanup (#6814)

2023-11-10 15:32:54 +01:00

SimDivPickers

One final round of mem errors (#7943)

2024-10-29 06:46:43 +01:00

CMakeLists.txt

MinimalLib: add CFFI interface (#4018)

2021-04-15 21:33:52 +02:00

notes.txt

Unset executable flag

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