pubchem/lib/compound/from/compoundFromSmiles.js

pubchem simplifies the data retrieval from the PubChem API.

"use strict";
Object.defineProperty(exports, "__esModule", { value: true });
exports.compoundFromSmiles = compoundFromSmiles;
const Compound_1 = require("../Compound");
const handleError_1 = require("./handleError");
async function compoundFromSmiles(smiles, options = {}) {
    const { cache } = options;
    let compounds;
    if (cache?.(smiles)) {
        compounds = cache(smiles);
    }
    else {
        const encodedSmiles = encodeURIComponent(smiles);
        const moleculeResponse = await fetch(`https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/${encodedSmiles}/json`);
        compounds = (await moleculeResponse.json()).PC_Compounds;
        if (cache) {
            cache(smiles, compounds);
        }
    }
    (0, handleError_1.checkCompoundsResult)(compounds);
    return new Compound_1.Compound(compounds[0], { cache });
}
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