Files
rdkit/Code/GraphMol/DistGeomHelpers
Brian Cole e2fe6d8429 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.
2017-12-02 05:50:57 +01:00
..
2017-04-18 02:33:23 -04:00
2016-09-23 04:58:46 +02:00