Greg Landrum 3b61dc42c2 Fixes #1990 (#1992) ...

* Fixes #1990
makes sure we don't destroy a double bond's StereoAtoms just because a bond connected to one of its atoms is removed

* change in response to review

2018-08-14 01:56:24 +02:00

..

test_data

Improved regression test for ETKDG version 2 (#1640)

2017-11-15 06:51:05 +01:00

Wrap

Fixes #1763 (#1765)

2018-03-09 08:38:26 -05:00

BoundsMatrixBuilder.cpp

Removes ATOM/BOND_SPTR in boost::graph in favor of raw pointers (#1713)

2018-01-07 14:19:47 -05:00

BoundsMatrixBuilder.h

first pass, using google style

2015-11-14 14:58:11 +01:00

CMakeLists.txt

Integrate Coordgen (#1708)

2018-02-15 05:36:03 +01:00

Embedder.cpp

Switch from boost::thread to std::thread (#1745)

2018-02-22 03:43:07 +01:00

Embedder.h

Make sure EmbedMultipleConfs is deterministic for very large seeds and a seed of 0 (#1635)

2017-11-15 06:53:42 +01:00

test_list.py

Issue1071/yapf (#1078)

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

testDgeomHelpers.cpp

Fixes #1990 (#1992)

2018-08-14 01:56:24 +02:00