Hi Max,
On Wed, Sep 16, 2015 at 6:39 PM, Max Kretzschmar <[email protected]>
wrote:
>
> I want to save molecules along with their properties and found this
> handy Property Mols function which works well for my problem.
>
> So is there a disadvantage using Property Mols instead of the standard
> Mols function? I haven't noticed any drop in speed saving my molecule
> set using either of them yet. Is there any limitation when I use PMs? Or
> cases in which you would suggest the use of standard Mols?
>
They should behave the same as normal Mols in most circumstances, so they
should be safe to use.
There is a todo item to handle the way that properties are handled by the
C++ molecules. This would have some performance benefits and also allow
properties to be correctly pickled, but this is still in an exploratory
stage and won't be there until, at the soonest, the Q2 2016 release.
In the meantime, you should be fine with Property Mols.
Best,
-greg
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