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New Extension: SpeciesType #180

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merged 12 commits into from
Apr 3, 2018

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DavidSagan
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@DavidSagan DavidSagan commented Feb 6, 2018

This pull request has a new file for standardizing the names of particle species.

Implements issue: #176

Description

This convention is for standardizing the names of particle species, e.g. in particle physics.

Affected Components

  • new extension: SpeciesType

Logic Changes

A new optional string attribute speciesType can now be present at mesh record and particle group level.

Writer Changes

  • openPMD-api (upcoming): Add to writer and reader API.

Reader Changes

Readers can if they want read the new attribute (if it exists) and propose e.g. groups, accumulations, etc. on it.

Data Updater

New optional extension with optional attribute. No update of existing data needed.
Edit: update needed for ED-PIC extension: #192

@ax3l ax3l requested review from ax3l and RemiLehe February 6, 2018 17:30
@ax3l ax3l added the EXT: SpeciesType physical particle species extension label Feb 6, 2018
@ax3l ax3l added this to the openPMD 2.X milestone Feb 6, 2018
@ax3l ax3l changed the title New particle id standard New particle type standard Feb 6, 2018
@ax3l ax3l changed the title New particle type standard Extension: Particle Species Type Feb 6, 2018
@ax3l ax3l changed the title Extension: Particle Species Type Extension: Species Type Feb 6, 2018
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ax3l commented Feb 6, 2018

Left-over to do's from #177:

  • hardons: define protons & anti-protons
  • separate anti-particles by , instead of putting them in brackets
  • remove extension-ID (2.0.0)

@ax3l ax3l changed the title Extension: Species Type New Extension: Species Type Feb 6, 2018
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@ax3l There also should be a version number associated with this. I assume it should be 1.0.0 .

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ax3l commented Feb 20, 2018

@DavidSagan the version number will simply be the one of the standard it gets in with.

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DavidSagan commented Feb 20, 2018

@ax3l

the version number will simply be the one of the standard it gets in with.

OK just to make sure I understand: Say in the future changes to an extension necessitates that it is to be bumped up a version. Then even if the base standard has not changed it will be bumped up too? Yes?

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ax3l commented Feb 20, 2018

Exactly.
Admittedly, up to now the major changes were triggered by the base standard.

@ax3l ax3l added the minor change backwards-compatible change label Feb 20, 2018
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ax3l commented Feb 26, 2018

@RemiLehe @marcguetg hi, do you want to give your review comments on this PR? From my side I think it's already in quite good shape.

Additional Record Attribute
---------------------------

The following additional attribute for openPMD `records` is defined in this
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oh wait, I think it should read:

... mesh records and particle groups ...

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How about simply:

The following attribute for openPMD is defined ...

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Sure, but I think for reader tools it is good to know where to look for it, no?
I currently only see these two locations as useful and relaxing later on is always possible.

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OK I did not realize that this was defining where the info should go. How about adding a definition for mesh record and particle group in the Standard?

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good, this aspect is moved to #187

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@ax3l Should we merge this?

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ax3l commented Apr 3, 2018

ok, I addressed the last inline comment about the location of the SpeciesType attribute, so reader implementors know where to expect it

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Minor detail: Since neutron is a common standard name do we want to use neutron, anti-neutron rather than other:neutron, other:anti-neutron?

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ax3l commented Apr 3, 2018

Sure, we can do that. It's just not too common for us since it's neutral ;-)

I did just draw a line (arbitrarily) since (anti-)protons are the only stable free hadrons.

DavidSagan and others added 3 commits April 3, 2018 16:01
- file renamed to `EXT_SpeciesType.md`
- extension name: `SpeciesType` with extension-ID `4` (`1` is used and we reserved `2`$
- formatting unified
- defined `SpeciesType` as attribute: *recommended* if extension is declared
- allowed `lists`, e.g. for a local *summed charge density* in a non-equilibrium plasma
- atoms & isotopes: reference to IUPAC namings
Reference to the new extension `SpeciesType` in the base standard
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ax3l commented Apr 3, 2018

@DavidSagan moved (anti-)neutron to "common" and added sigma baryon as another example. now we draw the line at the nucleus :D

The following additional attribute for openPMD `mesh records` and
`particle groups` is defined in this extension:

- `SpeciesType`
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wait, why is this upper-case in the first letter? Aren't we starting all attributes with a lowercase letter? Will update for consistency.

currently, all attributes start lower case.
@ax3l ax3l changed the title New Extension: Species Type New Extension: SpeciesType Apr 3, 2018
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ax3l commented Apr 3, 2018

@RemiLehe @DavidSagan I think this can be merged now :)

@RemiLehe RemiLehe merged commit 7457b4e into openPMD:upcoming-2.0.0 Apr 3, 2018
An example would be `Si` for silicon.

Specifications of isotopes are denoted by a pound symbol `#` followed
by the isotopic number followed by the chemical symbol, e.g.: `#3He`
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Could we add a mention on how to mention #2H2#15O? It isn't fully clear how this works in this flow?

@DavidSagan DavidSagan deleted the New-ParticleID-Standard branch September 14, 2023 16:28
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4 participants