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Re: [h5md-user] Metadata on physical quantities and their units
From: |
Pierre de Buyl |
Subject: |
Re: [h5md-user] Metadata on physical quantities and their units |
Date: |
Fri, 02 Aug 2013 15:47:53 -0400 |
User-agent: |
Internet Messaging Program (IMP) H4 (5.0.21) |
Peter Colberg <address@hidden> a écrit :
On Thu, Aug 01, 2013 at 10:52:19PM -0400, Peter Colberg wrote:
$>> I have prepared a proposal that adds an H5MD metadata group for
physical quantities and their units. Please read the proposal
carefully, to avoid any inconsistencies to slip through.
Our current discussion of units is quite abstract, so I thought it
would be nice to explore a few concrete examples. I revised the above
proposal to illustrate a real-world scenario, a system of SI units as
available in the LAMMPS package [1]. The attachment contains a Python
script that produces such a “quantities” group.
[1] http://lammps.sandia.gov/doc/units.html
Hi Peter,
I'm sorry I didn't reply to the original message of this thread.
One possibility, with H5MD, is the ability to have subgroups. Imagine
combining two molecular structures that come from separate sources.
With a global unit settings for units, as opposed to a named datatype,
this would be error-prone.
Given the lack of actual use, as of now and in the context of H5MD,
could we not wait?
Pierre