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323 lines
7.3 KiB
323 lines
7.3 KiB
<!DOCTYPE html>
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<html lang="en">
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<head>
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<title>three.js webgl - molecules</title>
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<meta charset="utf-8">
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<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
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<style>
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body {
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margin: 0;
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font-family: Arial;
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overflow: hidden;
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}
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a {
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color: #ffffff;
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}
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#info {
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position: absolute;
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top: 0px;
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width: 100%;
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color: #ffffff;
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padding: 5px;
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font-family: Monospace;
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font-size: 13px;
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font-weight: bold;
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text-align: center;
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z-index: 1;
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}
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#menu {
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position: absolute;
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bottom: 20px;
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width: 100%;
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text-align: center;
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padding: 0;
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margin: 0;
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}
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button {
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color: rgb(255,255,255);
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background: transparent;
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border: 0px;
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padding: 5px 10px;
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cursor: pointer;
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}
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button:hover {
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background-color: rgba(0,255,255,0.5);
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}
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button:active {
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color: #000000;
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background-color: rgba(0,255,255,1);
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}
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.label {
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text-shadow: -1px 1px 1px rgb(0,0,0);
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margin-left: 25px;
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}
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</style>
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</head>
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<body>
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<script src="../build/three.js"></script>
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<script src="js/controls/TrackballControls.js"></script>
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<script src="js/loaders/PDBLoader.js"></script>
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<script src="js/renderers/CSS2DRenderer.js"></script>
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<div id="container"></div>
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<div id="info"><a href="http://threejs.org" target="_blank" rel="noopener">three.js webgl</a> - molecules</div>
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<div id="menu"></div>
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<script>
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var camera, scene, renderer, labelRenderer;
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var controls;
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var root;
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var MOLECULES = {
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"Ethanol": "ethanol.pdb",
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"Aspirin": "aspirin.pdb",
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"Caffeine": "caffeine.pdb",
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"Nicotine": "nicotine.pdb",
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"LSD": "lsd.pdb",
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"Cocaine": "cocaine.pdb",
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"Cholesterol": "cholesterol.pdb",
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"Lycopene": "lycopene.pdb",
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"Glucose": "glucose.pdb",
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"Aluminium oxide": "Al2O3.pdb",
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"Cubane": "cubane.pdb",
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"Copper": "cu.pdb",
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"Fluorite": "caf2.pdb",
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"Salt": "nacl.pdb",
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"YBCO superconductor": "ybco.pdb",
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"Buckyball": "buckyball.pdb",
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"Graphite": "graphite.pdb"
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};
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var loader = new THREE.PDBLoader();
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var offset = new THREE.Vector3();
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var menu = document.getElementById( 'menu' );
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init();
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animate();
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function init() {
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scene = new THREE.Scene();
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scene.background = new THREE.Color( 0x050505 );
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camera = new THREE.PerspectiveCamera( 70, window.innerWidth / window.innerHeight, 1, 5000 );
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camera.position.z = 1000;
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scene.add( camera );
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var light = new THREE.DirectionalLight( 0xffffff, 0.8 );
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light.position.set( 1, 1, 1 );
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scene.add( light );
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var light = new THREE.DirectionalLight( 0xffffff, 0.5 );
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light.position.set( - 1, - 1, 1 );
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scene.add( light );
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root = new THREE.Group();
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scene.add( root );
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//
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renderer = new THREE.WebGLRenderer( { antialias: true } );
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renderer.setPixelRatio( window.devicePixelRatio );
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renderer.setSize( window.innerWidth, window.innerHeight );
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document.getElementById( 'container' ).appendChild( renderer.domElement );
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labelRenderer = new THREE.CSS2DRenderer();
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labelRenderer.setSize( window.innerWidth, window.innerHeight );
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labelRenderer.domElement.style.position = 'absolute';
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labelRenderer.domElement.style.top = '0';
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labelRenderer.domElement.style.pointerEvents = 'none';
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document.getElementById( 'container' ).appendChild( labelRenderer.domElement );
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//
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controls = new THREE.TrackballControls( camera, renderer.domElement );
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controls.minDistance = 500;
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controls.maxDistance = 2000;
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//
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loadMolecule( 'models/molecules/caffeine.pdb' );
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createMenu();
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//
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window.addEventListener( 'resize', onWindowResize, false );
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}
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//
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function generateButtonCallback( url ) {
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return function () {
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loadMolecule( url );
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};
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}
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function createMenu() {
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for ( var m in MOLECULES ) {
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var button = document.createElement( 'button' );
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button.innerHTML = m;
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menu.appendChild( button );
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var url = 'models/molecules/' + MOLECULES[ m ];
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button.addEventListener( 'click', generateButtonCallback( url ), false );
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}
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}
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//
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function loadMolecule( url ) {
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while ( root.children.length > 0 ) {
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var object = root.children[ 0 ];
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object.parent.remove( object );
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}
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loader.load( url, function ( pdb ) {
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var geometryAtoms = pdb.geometryAtoms;
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var geometryBonds = pdb.geometryBonds;
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var json = pdb.json;
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var boxGeometry = new THREE.BoxBufferGeometry( 1, 1, 1 );
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var sphereGeometry = new THREE.IcosahedronBufferGeometry( 1, 2 );
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geometryAtoms.computeBoundingBox();
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geometryAtoms.boundingBox.getCenter( offset ).negate();
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geometryAtoms.translate( offset.x, offset.y, offset.z );
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geometryBonds.translate( offset.x, offset.y, offset.z );
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var positions = geometryAtoms.getAttribute( 'position' );
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var colors = geometryAtoms.getAttribute( 'color' );
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var position = new THREE.Vector3();
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var color = new THREE.Color();
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for ( var i = 0; i < positions.count; i ++ ) {
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position.x = positions.getX( i );
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position.y = positions.getY( i );
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position.z = positions.getZ( i );
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color.r = colors.getX( i );
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color.g = colors.getY( i );
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color.b = colors.getZ( i );
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var material = new THREE.MeshPhongMaterial( { color: color } );
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var object = new THREE.Mesh( sphereGeometry, material );
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object.position.copy( position );
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object.position.multiplyScalar( 75 );
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object.scale.multiplyScalar( 25 );
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root.add( object );
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var atom = json.atoms[ i ];
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var text = document.createElement( 'div' );
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text.className = 'label';
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text.style.color = 'rgb(' + atom[ 3 ][ 0 ] + ',' + atom[ 3 ][ 1 ] + ',' + atom[ 3 ][ 2 ] + ')';
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text.textContent = atom[ 4 ];
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var label = new THREE.CSS2DObject( text );
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label.position.copy( object.position );
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root.add( label );
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}
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positions = geometryBonds.getAttribute( 'position' );
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var start = new THREE.Vector3();
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var end = new THREE.Vector3();
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for ( var i = 0; i < positions.count; i += 2 ) {
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start.x = positions.getX( i );
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start.y = positions.getY( i );
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start.z = positions.getZ( i );
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end.x = positions.getX( i + 1 );
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end.y = positions.getY( i + 1 );
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end.z = positions.getZ( i + 1 );
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start.multiplyScalar( 75 );
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end.multiplyScalar( 75 );
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var object = new THREE.Mesh( boxGeometry, new THREE.MeshPhongMaterial( 0xffffff ) );
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object.position.copy( start );
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object.position.lerp( end, 0.5 );
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object.scale.set( 5, 5, start.distanceTo( end ) );
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object.lookAt( end );
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root.add( object );
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}
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render();
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} );
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}
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//
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function onWindowResize() {
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camera.aspect = window.innerWidth / window.innerHeight;
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camera.updateProjectionMatrix();
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renderer.setSize( window.innerWidth, window.innerHeight );
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labelRenderer.setSize( window.innerWidth, window.innerHeight );
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render();
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}
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function animate() {
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requestAnimationFrame( animate );
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controls.update();
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var time = Date.now() * 0.0004;
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root.rotation.x = time;
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root.rotation.y = time * 0.7;
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render();
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}
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function render() {
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renderer.render( scene, camera );
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labelRenderer.render( scene, camera );
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}
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</script>
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</body>
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</html>
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