import { Kekule } from 'kekule';
import 'kekule/theme/default';       // if Kekule widgets is used in browser, the theme CSS should be imported as well
console.log(Kekule.VERSION);

let Kekule = require('kekule').Kekule;
require('kekule/theme/default');    // if Kekule widgets is used in browser, the theme CSS should be imported as well
console.log(Kekule.VERSION);

// Create a simple CO2 molecule
var mol = new Kekule.Molecule();
var atomC = mol.appendAtom('C');
var atomO1 = mol.appendAtom('O');
var atomO2 = mol.appendAtom('O');
mol.appendBond([atomC, atomO1], 2);
mol.appendBond([atomC, atomO2], 2);

// Get formula
var formula = mol.calcFormula();
console.log('Formula: ', formula.getText());

// Output SMILES
var smiles = Kekule.IO.saveFormatData(mol, 'smi');
console.log('SMILES: ', smiles);

// Output MOL2k
var mol2k = Kekule.IO.saveFormatData(mol, 'mol');
console.log('MOL 2000: \n', mol2k);

// load a molecule from JavaScript string
let cmlData = '<cml xmlns="http://www.xml-cml.org/schema"><molecule id="m1"><atomArray><atom id="a2" elementType="C" x2="7.493264658965051" y2="35.58088907877604"/><atom id="a3" elementType="O" x2="8.186084981992602" y2="35.18088907877604"/><atom id="a1" elementType="C" x2="6.800444335937501" y2="35.18088907877604"/></atomArray><bondArray><bond id="b2" order="S" atomRefs2="a2 a3"/><bond id="b1" order="S" atomRefs2="a2 a1"/></bondArray></molecule></cml>';
let molecule = Kekule.IO.loadFormatData(cmlData, 'cml');

// load a spectrum from string
let jcampData = '##TITLE=CCH-4\n##JCAMP-DX=4.24\n##DATA TYPE=INFRARED SPECTRUM ...{omitted}... ##END=';
let spectrum = Kekule.IO.loadMimeData(cmlData, 'chemical/x-jcamp-dx');

// load from url
let url = './data/mol2D/quinone.mol';
Kekule.IO.loadUrlData(url, (mol, success) => {
  if (success)
    console.log('Load molecule successful', mol);
});

// load from file object
document.getElementById('inputFile').addEventListener('change', () => {
  let file = document.getElementById('inputFile').files[0];
  if (file)
  {
    Kekule.IO.loadFileData(file, function(mol, success) {
      if (success)
      console.log('Load molecule successful', mol);
    });
  }
});

// save to string in SMILES format
let smiles = Kekule.IO.saveFormatData(spectrum, 'smi');
// use mimetype to set the output format
let dataMol = Kekule.IO.saveMimeData(molecule, 'chemical/x-mdl-molfile');   

// get all rings of molecule
let allRings = molecule.findAllRings();
// get SSSR of molecule
let sssRings = molecule.findSSSR();
// get aromatic of molecule
let aromaticRings = molecule.findAromaticRings();

// find chiral atoms and stereo bonds in molecule
let chiralAtoms = molecule.perceiveChiralNodes();
let stereoBonds = molecule.perceiveStereoConnectors();

// compare srcMol and targetMol, check if the structure is same
let isSame = srcMolecule.isSameStructureWith(targetMolecule);
// search sub structure inside targetMolecule
let searchResult = targetMolecule.search(subStructure);
if (!!searchResult)
	console.log('The sub structure is in target');

Kekule.X.domReady(() => {  // called after DOM ready and the widget been initialized
  let viewer = Kekule.Widget.getWidgetById('chemViewer');
  let composer = Kekule.Widget.getWidgetById('composer');
});

// create a viewer widget and append it as child to #parent HTML element
let chemViewer = new Kekule.ChemWidget.Viewer(document);
chemViewer.setDimension('500px', '400px');
chemViewer
  .appendToElem(document.getElementById('parent'))
  .setChemObj(molecule);

// create a composer widget directly on #div1
let composer = new Kekule.Editor.Composer(document.getElementById('div1'));
composer.setDimension('600px', '400px');
composer.setChemObj(molecule);