Hi,
On Tue, Jul 23, 2013 at 12:07 AM, Noel O'Boyle <baoille...@gmail.com> wrote:
> My own 2c is that we should remove the randomness. I think it's the
> wrong solution to the problem, and sweeps the problem under the
> carpet. There should be no need for it.
IIRC, the randomness comes from the need to to have a vector perpendicular
to some other vector. Even with random vectors you still need to check the
angle between the two vectors before taking the cross product. Replacing
the random vector with two deterministic vectors (e.g. X axis first, Y axis
second) should make the builder deterministic.
Tim
>
> - Noel
>
> On 22 July 2013 19:45, Geoffrey Hutchison <geoff.hutchi...@gmail.com>
> wrote:
> >> I just noticed that the OpenBabel 3D builder gives different results
> >> on each run (see example below). Can I set a seed somehow?
> >
> > Good question. At the moment, no. But that should be fairly easy to fix
> in the development code by adding an OBBuilder::SetRandomSeed() method.
> >
> > -Geoff
> >
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