From 5e3dc8af3a153ad0aa24d97aac81fde13c0db987 Mon Sep 17 00:00:00 2001 From: Rickard Armiento Date: Wed, 6 Jul 2022 20:10:36 +0200 Subject: [PATCH] Suggestions from @ml-evs in PR review Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> --- optimade.rst | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/optimade.rst b/optimade.rst index de7c29cd1..d11ff8357 100644 --- a/optimade.rst +++ b/optimade.rst @@ -2813,8 +2813,8 @@ Collections Entries ------------------- Collections entries are used to define a set of Entries of any types. -For example, a collection of Structure entries can be used to indicate that they are conceptually related, such as structures representing aluminium unit cells with point defects. -The set of entries that belong to the collection is defined using relationships from the collection to each entry (OPTIMADE relationships are defined in `Relationships`_). +For example, a collection of Structure entries can be used to indicate that they are conceptually related, such as structures representing aluminium unit cells with point defects, or structures that comprise a training set for a particular interatomic potential. +The set of entries that belong to the collection is defined using one-to-many relationships from the collection to each entry (OPTIMADE relationships are defined in `Relationships`_). A collection can contain other collections. Furthermore, implementations are suggested to add database-specific properties for additional metadata they want to store about the collections. An OPTIMADE response representing a collection with all referenced entries included via the JSON API field :field:`included` (or equivalent in other response formats) can be used as a universal format for storage or transfer of a subset of (or all) data in an OPTIMADE database. @@ -2826,7 +2826,7 @@ The following example shows how relationships from a collection to other entries { "data": { "type": "collections", - "id": "example.com:collections:42", + "id": "42", "attributes": { "name": "Results set for vacancies in FCC Al" "category": "results_set" @@ -2863,6 +2863,7 @@ name - **Examples**: - :val:`"Results set for vacancies in FCC Al"` + - :val:`"Training set for the 'Si-001' interatomic potential."` description ~~~~~~~~~~~ @@ -2877,6 +2878,7 @@ description - **Examples**: - :val:`"This collection contains structures used in an investigation into point defects in Al"` + - :val:`"Training set of structures, forces and energies used to construct the interatomic potential 'Si-001' for silicon, with associated bibliographic references."` category ~~~~~~~~ @@ -2892,6 +2894,7 @@ category - **Examples**: - :val:`"results_set"` + - :val:`"training_set"` Calculations Entries --------------------