pubchem/lib/compound/Compound.js

pubchem simplifies the data retrieval from the PubChem API.

"use strict";
Object.defineProperty(exports, "__esModule", { value: true });
exports.Compound = void 0;
const compoundDataFromCID_1 = require("../compoundData/from/compoundDataFromCID");
const compoundFromInchiKey_1 = require("./from/compoundFromInchiKey");
const compoundFromName_1 = require("./from/compoundFromName");
const compoundFromSmiles_1 = require("./from/compoundFromSmiles");
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 = (0, compoundDataFromCID_1.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;
    }
}
exports.Compound = Compound;
Compound.fromSmiles = compoundFromSmiles_1.compoundFromSmiles;
Compound.fromName = compoundFromName_1.compoundFromName;
Compound.fromInchiKey = compoundFromInchiKey_1.compoundFromInchiKey;
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