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Re: [h5md-user] Minor revisions before H5MD v1.0

From: Peter Colberg
Subject: Re: [h5md-user] Minor revisions before H5MD v1.0
Date: Sun, 5 May 2013 15:59:49 -0400
User-agent: Mutt/1.5.21 (2010-09-15)

On Sun, May 05, 2013 at 09:12:53PM +0200, Pierre de Buyl wrote:
> I'd like to propose another solution. I think that it is better and that it
> satisfies the legimate concerns that were expressed by both of you:
> 1. Avoid polluting the yet free /parameters group.
> 2. Take into account the possibility that several parts of the file may be
> related to different dimensional constraints.
> 3. Allow to determine without ambiguity the dimensionality of the system 
> related
> to a given observable. This should have been number 1 indeed :-)
> Here is the idea:
> \observables
>   +-- dimension OPTIONAL
>   \-- obs1
>        +-- dimension OPTIONAL
>        \-- step
>        \-- time
>        \-- value
> If you want to know the dimensionality of the system related to obs1, you use
> the innermost dimension attribute available. I put everything optional so that
> the user may DNRY (do not repeat yourself) as he/she sees fit.
> Data from the trajectory group keeps its dimensionality inferred from the
> datasets.

Thanks for the proposal Pierre, it is fine with me.


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