pubchem/lib-esm/compoundData/CompoundData.js

pubchem simplifies the data retrieval from the PubChem API.

import { getComputedData } from './computed/getComputedData';
import { getBoilingPoint } from './experimental/getBoilingPoint';
import { getDensity } from './experimental/getDensity';
import { getExperimentalData } from './experimental/getExperimentalData';
import { getFlashPoint } from './experimental/getFlashPoint';
import { getMeltingPoint } from './experimental/getMeltingPoint';
import { getSolubility } from './experimental/getSolubility';
import { getVaporPressure } from './experimental/getVaporPressure';
import { getReferences } from './getReferences';
import { getFormula } from './identifiers/getFormula';
import { getIdentifiers } from './identifiers/getIdentifiers';
import { getInChI } from './identifiers/getInChI';
import { getInChIKey } from './identifiers/getInChIKey';
import { getSMILES } from './identifiers/getSMILES';
import { getGHS, getGHSSummary } from './safety/getGHS';
export class CompoundData {
    constructor(data) {
        this.data = data;
    }
    getReferences() {
        return getReferences(this.data);
    }
    getExperimentalData(options) {
        return getExperimentalData(this.data, options);
    }
    getIdentifiers() {
        return getIdentifiers(this.data);
    }
    get computed() {
        return getComputedData(this.data);
    }
    /**
     * Property containing a summary of GHS information
     */
    get ghs() {
        return getGHSSummary(this.data);
    }
    getGHSSummary(options) {
        return getGHSSummary(this.data, options);
    }
    /**
     * Canonical SMILES
     */
    getSMILES() {
        return getSMILES(this.data);
    }
    /**
     * Return molecular formula in Hill notation
     */
    getFormula() {
        return getFormula(this.data);
    }
    /**
     * Return the International Chemical Identifier (InChI) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard
     */
    getInChI() {
        return getInChI(this.data);
    }
    /**
     * International Chemical Identifier hash (InChIKey) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard.
     */
    getInChIKey() {
        return getInChIKey(this.data);
    }
    /**
     * Detailed information about GHS information
     */
    getGHS() {
        return getGHS(this.data);
    }
    getMeltingPoint(options) {
        return getMeltingPoint(this.data, options);
    }
    getBoilingPoint(options) {
        return getBoilingPoint(this.data, options);
    }
    getDensity(options) {
        return getDensity(this.data, options);
    }
    getVaporPressure(options) {
        return getVaporPressure(this.data, options);
    }
    getSolubility() {
        return getSolubility(this.data);
    }
    getFlashPoint(options) {
        return getFlashPoint(this.data, options);
    }
    toJSON() {
        const methods = Object.entries(Object.getOwnPropertyDescriptors(CompoundData.prototype))
            .filter(([, descriptor]) => typeof descriptor.get === 'function')
            .map(([key]) => key);
        const result = {};
        for (const method of methods) {
            result[method] = this[method];
        }
        return result;
    }
}
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