pubchem/lib-esm/compound/Compound.js

pubchem simplifies the data retrieval from the PubChem API.

import { compoundDataFromCID } from '../compoundData/from/compoundDataFromCID';
import { compoundFromInchiKey } from './from/compoundFromInchiKey';
import { compoundFromName } from './from/compoundFromName';
import { compoundFromSmiles } from './from/compoundFromSmiles';
export class Compound {
    constructor(data, options = {}) {
        this.data = data;
        this.cache = options.cache;
    }
    getCID() {
        return this.data?.id?.id?.cid;
    }
    getData() {
        const cid = this.getCID();
        const cd = compoundDataFromCID(cid, { cache: this.cache });
        return cd;
    }
    toJSON() {
        const methods = Object.entries(Object.getOwnPropertyDescriptors(Compound.prototype))
            .filter(([, descriptor]) => typeof descriptor.get === 'function')
            .map(([key]) => key);
        const result = {};
        for (const method of methods) {
            result[method] = this[method];
        }
        return result;
    }
}
Compound.fromSmiles = compoundFromSmiles;
Compound.fromName = compoundFromName;
Compound.fromInchiKey = compoundFromInchiKey;
//# sourceMappingURL=Compound.js.map