Anyterial
Note: prerelease version v0.1, subject to change

Setting annotation (property)

This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.

ID: https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/setting
Definition name: setting

Property name: Setting annotation
Description: Setting suffix or setting annotation extracted from the cctbx universal Hermann-Mauguin symbol in hm_cctbx_universal.
Type: string

The value is the part of the universal symbol after the colon when one is present, for example the origin-choice code 1 or 2, the rhombohedral- or hexagonal-axes code r or h, or an axis code such as b1. When the universal symbol has no colon, the value is any trailing parenthesized basis-change qualifier, for example (c,a,b). The value is an empty string when the universal symbol carries no setting annotation. See also setting_it_nc and it_coordinate_system_code for the corresponding International Tables identifiers.

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/setting",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "Setting annotation",
    "x-optimade-type": "string",
    "x-optimade-definition": {
        "kind": "property",
        "version": "0.1.0",
        "format": "1.3",
        "name": "setting",
        "label": "setting_spacegroups"
    },
    "type": [
        "string",
        "null"
    ],
    "description": "Setting suffix or setting annotation extracted from the cctbx universal Hermann-Mauguin symbol in `hm_cctbx_universal`.\n\nThe value is the part of the universal symbol after the colon when one is present, for example the origin-choice code `1` or `2`, the rhombohedral- or hexagonal-axes code `r` or `h`, or an axis code such as `b1`.\nWhen the universal symbol has no colon, the value is any trailing parenthesized basis-change qualifier, for example `(c,a,b)`.\nThe value is an empty string when the universal symbol carries no setting annotation.\nSee also `setting_it_nc` and `it_coordinate_system_code` for the corresponding International Tables identifiers.",
    "x-optimade-unit": "inapplicable",
    "examples": [
        "2",
        "(c,a,b)"
    ]
}