Files
rdkit/Code/GraphMol/DistGeomHelpers/Embedder.cpp
Brian Cole 6eb710254f Make sure EmbedMultipleConfs is deterministic for very large seeds and a seed of 0 (#1635)
* Make sure EmbedMultipleConfs is deterministic for very large seeds and a seed of 0.

Fixing two distinct bugs:

- A randomSeed of 0 didn't use '0' as the seed even though the
  documentation said that it should.

- Very large seeds could overflow the 'int' representation during
  calculation of a new internal seed. This would make
  EmbedMultipleConfs non-deterministic even though the user provided a
  valid seed.

* Adding a C++ test for case pull request #1635.
2017-11-14 03:58:35 +01:00

40 KiB