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clarify species type extension #264

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clarify species type extension #264

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8e01254
species type extension: formulate ideas from #256 (clarifications, ad…
s9105947 Jan 26, 2022
fef2014
replace RFC 2119 terms allcaps with bold text (comforming to PR #262)
s9105947 Jan 31, 2022
acf506a
rm trailing slash from link
s9105947 Feb 14, 2022
fd88803
Fix Typo
ax3l Jan 25, 2023
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replace RFC 2119 terms allcaps with bold text (comforming to PR #262)
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@s9105947
s9105947 committed Jan 31, 2022
commit fef2014cccaa20c857e7fe9423293e21673f050a
18 changes: 9 additions & 9 deletions EXT_SpeciesType.md
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Expand Up @@ -49,17 +49,17 @@ The following additional attribute for openPMD `mesh records` and

This attribute can be used with any `record` (including `mesh records`).

A particle species list containing only a single item MUST be treated as a
single species.
A particle species list containing only a single item **must** be
treated as a single species.

> Note that `other:` can *only* be used for single species, it is
> forbidden in lists.
>
> The list separator is a sole `;`. Neither spaces around it nor empty
> list items (two semicolons following each other `;;`) are allowed.
> However, a single trailing semicolon `;` MUST be ignored.
> However, a single trailing semicolon `;` **must** be ignored.

The following values SHOULD NOT be used by an implementation, even if
The following values **should not** be used by an implementation, even if
they are allowed above:

- `other:`, as it does not specify any content.
Expand Down Expand Up @@ -161,15 +161,15 @@ element = "H" / "He" / "Li" / "Be" / "B" / "C" / "N" / "O" / "F" / "Ne" / "Na" /
The charge state is not encoded by the `speciesType` attribute.

The charge state ("ionization") is an attribute of an individual
particle, and therefore an implementation SHOULD NOT encode a charge
state as part of the `speciesType` in any way.
particle, and therefore an implementation **should not** encode a
charge state as part of the `speciesType` in any way.
In the case that the implementation does treat the charge state
("ionization") as a global, unmodifiable property of the `speciesType`
it MAY encode a charge state in an implementation-defined way.
it **may** encode a charge state in an implementation-defined way.

### Molecules
Molecules are not supported by the `speciesType` attribute.

However, an implementation MAY encode molecules using an
However, an implementation **may** encode molecules using an
implementation-defined syntax. In this case typical chemical notation
SHOULD be accepted, e.g. `H2O` for water.
**should** be accepted, e.g. `H2O` for water.