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test: verify tree utility functions
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azech-hqs committed Oct 26, 2023
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import { expect } from "chai";

import { getAvailableDFTFunctionals, getPseudopotentialTypes } from "../src/tree";

describe("tree", () => {
it("can get a list of available DFT functionals", () => {
const functionals = getAvailableDFTFunctionals();
const supportedFunctionals = ["pbe", "hse06", "b3lyp", "pz"];
expect(functionals).to.have.members(supportedFunctionals);
});

it("can get a list of pseudopotential types", () => {
const ppTypes = getPseudopotentialTypes();
const supportedPseudoTypes = ["paw", "us", "nc", "any"];
expect(ppTypes).to.have.members(supportedPseudoTypes);
});
});

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