optimade

Aggregating Optimade client for the online materials databases

Features

• discover all the official Optimade databases recursively
• cache the discovered list (prefetched.json) for future and boost the retrieval performance
• query them all, in the browser, at the server, everywhere

Install

npm i optimade --save

yarn add optimade

CDN: UNPKG | jsDelivr (available as window.optimade)

If you are not using es6 or CDN, add to your HTML just before closing the body tag:

<script src="/path/to/optimade/dist/index.js"></script>
<!-- OR -->
<script type="module" src="/path/to/optimade/dist/index.mjs"></script>

Usage

const optimadeClient = new Optimade({
    providersUrl: '/path/to/optimade/providers.json'
});

console.log(optimadeClient.providers); // { [id: string]: Provider }[]

const providersMap = await optimadeClient.getProviders(); // { [id: string]: Provider }[]

const providerIds = Object.keys(providersMap); // string[]

const results = await optimadeClient.getStructuresAll(providerIds, YOUR_OPTIMADE_QUERY); // [Structures[], Provider][]

Importing depends on your environment. See also the examples folder. The .html examples are suited for the browser environment, the .js examples are suited for the server environment.

The code is generally isomorphic, however one should additionally take care of downloading the cache or setting the CORS policy for the browsers. Concerning the CORS, the Optimade class constructor accepts the corsProxyUrl parameter, pointing to e.g. a running cors-anywhere proxy instance. This will be valid until all the Optimade providers are supplying the header Access-Control-Allow-Origin $http_origin in their responses. For the server-side environment this is not required.

License

MIT © PaulMaly, Tilde Materials Informatics