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Support auxilliaries in Universe definitions #59

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dotsdl opened this issue Jul 28, 2016 · 3 comments
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Support auxilliaries in Universe definitions #59

dotsdl opened this issue Jul 28, 2016 · 3 comments
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enhancement
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0.7.0

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@dotsdl
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dotsdl commented Jul 28, 2016

Universes can now iterate through auxiliary data in addition to a trajectory. We want to persist defined auxiliaries in the Universe definition for a Sim in the same way that we persist other information, such as kwargs.
@dotsdl dotsdl added this to the 0.7.0 milestone Jul 28, 2016
@jbarnoud
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@fiona-naughton implemented a AuxReader.get_description method that can be used for this purpose. It returns a dictionary that can be passed to Reader.add_auxiliary to regenerate the auxiliary reader.

@dotsdl
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dotsdl commented Aug 14, 2016

@jbarnoud perfect. Once MDAnalysis/mdanalysis#868 is merged I'll be happy to get this in. I don't think the implementation will be hard or weird.

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dotsdl commented Dec 17, 2017

Closing for now. Can re-open later if there's renewed interest in this functionality.

@dotsdl dotsdl closed this as completed Dec 17, 2017
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