On Fri, Sep 30, 2022 at 4:35 PM Rocco Moretti <rmoretti...@gmail.com> wrote:
> Hi Greg, > > > The RDKit doesn't normally convert data field values into floats unless > you explicitly ask it to > > I did notice that mol.GetProp() will always return things by string, and > you would need to use mol.GetDoubleProp() if you explicitly wanted a > numeric value, but it looks like mol.GetPropsAsDict() will automatically > convert to integers/floating point as appropriate. I guess I was wondering > if there was a way to get GetPropsAsDict() to be more gregarious with the > locale (and/or make GetDoubleProp() more robust to not raising an > exception). > I don't believe that there is. But if I need to handle the locale re-parsing on my own, I can probably > knock something together to do that. > I think this will be necessary, particularly since it sounds like you need to try multiple locales anyway. > Luckily the CTAB section in my files are all the same C locale, so I don't > have to worry about that headache. > That's at least something to be grateful for! :-) -greg
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