Jan Holst Jensen dd6165c8af Fix #2176: InChI functions should return NULL on un-InChI-able input molecules. (#2177) ...

* Add check of returned string from InChI helper functions and convert to NULL when blank string is returned (a valid InChI string or InChI key will never be blank).

* Since MolInchi() and MolInchiKey() will never return a NULL pointer, I have removed the check for NULL.
Hopefully the intent of the code is now clearer.

2019-01-11 04:51:25 +01:00

..

Catalogs

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

ChemicalFeatures

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

cmake

Update build rules for coorgen & maeparser (#2184)

2019-01-06 06:28:00 +00:00

DataManip

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

DataStructs

Address compile warnings & trivial improvements (#2097)

2018-10-12 06:39:32 -04:00

Demos

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

DistGeom

Some refactoring of the distance geometry code (#2153)

2019-01-02 06:06:38 +00:00

doxygen

update doxygen files and add new logo without text

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

Features

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

ForceField

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

Geometry

Address compile warnings & trivial improvements (#2097)

2018-10-12 06:39:32 -04:00

GraphMol

Less warnings (#2155)

2019-01-06 06:30:14 +00:00

JavaWrappers

GSoC 2018 - Fingerprints (#2005)

2018-10-07 05:02:12 +02:00

ML

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

Numerics

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

PgSQL/rdkit

Fix #2176: InChI functions should return NULL on un-InChI-able input molecules. (#2177)

2019-01-11 04:51:25 +01:00

Query

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

RDBoost

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

RDGeneral

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

SimDivPickers

Address compile warnings & trivial improvements (#2097)

2018-10-12 06:39:32 -04:00

CMakeLists.txt

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +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