pubchem/lib/compoundData/experimental/extractExperimentalData.js

pubchem simplifies the data retrieval from the PubChem API.

"use strict";
var __importDefault = (this && this.__importDefault) || function (mod) {
    return (mod && mod.__esModule) ? mod : { "default": mod };
};
Object.defineProperty(exports, "__esModule", { value: true });
exports.extractExperimentalData = extractExperimentalData;
exports.getExperimentalDataSection = getExperimentalDataSection;
const jsonpath_1 = __importDefault(require("jsonpath"));
const getReferences_1 = require("../getReferences");
function extractExperimentalData(data, sectionName, options = {}) {
    const { parser } = options;
    const references = (0, getReferences_1.getReferences)(data);
    const experimentalSection = getExperimentalDataSection(data);
    const results = [];
    if (!experimentalSection || experimentalSection.length === 0) {
        return results;
    }
    jsonpath_1.default.query(experimentalSection[0], `$.Section[?(@.TOCHeading==="${sectionName}")].Information[*]`).forEach((entry) => {
        jsonpath_1.default.query(entry, '$.Value.StringWithMarkup[*].String').forEach((original) => {
            const result = {
                reference: references[entry.ReferenceNumber],
                data: { original },
            };
            if (parser) {
                try {
                    result.data.parsed = parser(original, options);
                }
                catch (error) {
                    result.data.parsed = {
                        error: error.toString(),
                    };
                }
            }
            results.push(result);
        });
    });
    return results;
}
function getExperimentalDataSection(data) {
    const experimentalData = jsonpath_1.default.query(data, '$.Section[?(@.TOCHeading==="Chemical and Physical Properties")]' +
        '.Section[?(@.TOCHeading==="Experimental Properties")]');
    return experimentalData;
}
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