<!DOCTYPE html>
<html>
<head>
<meta charset="utf-8">
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
<title>three.js css3d - molecules</title>
<style>
html, body {
height: 100%;
}
body {
background-color: #050505;
background: rgb(43,45,48); /* Old browsers */
background: -moz-radial-gradient(center, ellipse cover, rgba(43,45,48,1) 0%, rgba(0,0,0,1) 100%); /* FF3.6+ */
background: -webkit-gradient(radial, center center, 0px, center center, 100%, color-stop(0%,rgba(43,45,48,1)), color-stop(100%,rgba(0,0,0,1))); /* Chrome,Safari4+ */
background: -webkit-radial-gradient(center, ellipse cover, rgba(43,45,48,1) 0%,rgba(0,0,0,1) 100%); /* Chrome10+,Safari5.1+ */
background: -o-radial-gradient(center, ellipse cover, rgba(43,45,48,1) 0%,rgba(0,0,0,1) 100%); /* Opera 12+ */
background: -ms-radial-gradient(center, ellipse cover, rgba(43,45,48,1) 0%,rgba(0,0,0,1) 100%); /* IE10+ */
background: radial-gradient(ellipse at center, rgba(43,45,48,1) 0%,rgba(0,0,0,1) 100%); /* W3C */
margin: 0;
font-family: Arial;
overflow: hidden;
}
a {
color: #ffffff;
}
#info {
position: absolute;
top: 0px;
width: 100%;
color: #ffffff;
padding: 5px;
font-family: Monospace;
font-size: 13px;
font-weight: bold;
text-align: center;
z-index: 1;
}
#menu {
position: absolute;
bottom: 20px;
width: 100%;
text-align: center;
padding: 0;
margin: 0;
}
#topmenu {
position: absolute;
top: 10px;
right: 10px;
width: 100%;
text-align: right;
padding: 0;
margin: 0;
z-index: 1;
}
button {
color: rgb(255,255,255);
background: transparent;
border: 0px;
padding: 5px 10px;
cursor: pointer;
}
button:hover {
background-color: rgba(0,255,255,0.5);
}
button:active {
color: #000000;
background-color: rgba(0,255,255,1);
}
.bond {
width: 5px;
height: 10px;
background: #eee;
display: block;
}
</style>
</head>
<body>
<script src="../build/three.min.js"></script>
<script src="js/controls/TrackballControls.js"></script>
<script src="js/renderers/CSS3DRenderer.js"></script>
<script src="js/loaders/PDBLoader.js"></script>
<div id="container"></div>
<div id="info"><a href="http://threejs.org" target="_blank">three.js css3d</a> - molecules</div>
<div id="topmenu">
<button id="b_a">Atoms</button>
<button id="b_b">Bonds</button>
<button id="b_ab">Atoms + Bonds</button>
</div>
<div id="menu"></div>
<script>
var camera, scene, renderer;
var controls;
var root;
var objects = [];
var tmpVec1 = new THREE.Vector3();
var tmpVec2 = new THREE.Vector3();
var tmpVec3 = new THREE.Vector3();
var tmpVec4 = new THREE.Vector3();
var visualizationType = 2;
var MOLECULES = {
"Ethanol": "ethanol.pdb",
"Aspirin": "aspirin.pdb",
"Caffeine": "caffeine.pdb",
"Nicotine": "nicotine.pdb",
"LSD": "lsd.pdb",
"Cocaine": "cocaine.pdb",
"Cholesterol": "cholesterol.pdb",
"Lycopene": "lycopene.pdb",
"Glucose": "glucose.pdb",
"Aluminium oxide": "Al2O3.pdb",
"Cubane": "cubane.pdb",
"Copper": "cu.pdb",
"Fluorite": "caf2.pdb",
"Salt": "nacl.pdb",
"YBCO superconductor": "ybco.pdb",
"Buckyball": "buckyball.pdb",
//"Diamond": "diamond.pdb",
"Graphite": "graphite.pdb"
};
var loader = new THREE.PDBLoader();
var colorSpriteMap = {};
var baseSprite = document.createElement( 'img' );
var menu = document.getElementById( "menu" );
init();
animate();
function init() {
camera = new THREE.PerspectiveCamera( 70, window.innerWidth / window.innerHeight, 1, 5000 );
camera.position.z = 1500;
scene = new THREE.Scene();
root = new THREE.Object3D();
scene.add( root );
//
renderer = new THREE.CSS3DRenderer();
renderer.setSize( window.innerWidth, window.innerHeight );
document.getElementById( 'container' ).appendChild( renderer.domElement );
//
controls = new THREE.TrackballControls( camera, renderer.domElement );
controls.rotateSpeed = 0.5;
controls.addEventListener( 'change', render );
//
baseSprite.onload = function () {
loadMolecule( "models/molecules/caffeine.pdb" );
createMenu();
};
baseSprite.src = 'textures/sprites/ball.png';
//
window.addEventListener( 'resize', onWindowResize, false );
}
//
function generateButtonCallback( url ) {
return function ( event ) {
loadMolecule( url );
}
}
function createMenu() {
for ( var m in MOLECULES ) {
var button = document.createElement( 'button' );
button.innerHTML = m;
menu.appendChild( button );
var url = "models/molecules/" + MOLECULES[ m ];
button.addEventListener( 'click', generateButtonCallback( url ), false );
}
var b_a = document.getElementById( "b_a" );
var b_b = document.getElementById( "b_b" );
var b_ab = document.getElementById( "b_ab" );
b_a.addEventListener( 'click', function() { visualizationType = 0; showAtoms() } );
b_b.addEventListener( 'click', function() { visualizationType = 1; showBonds() } );
b_ab.addEventListener( 'click', function() { visualizationType = 2; showAtomsBonds() } );
}
//
function showAtoms() {
for ( var i = 0; i < objects.length; i ++ ) {
var object = objects[ i ];
if ( object instanceof THREE.CSS3DSprite ) {
object.element.style.display = "";
object.visible = true;
} else {
object.element.style.display = "none";
object.visible = false;
}
}
}
function showBonds() {
for ( var i = 0; i < objects.length; i ++ ) {
var object = objects[ i ];
if ( object instanceof THREE.CSS3DSprite ) {
object.element.style.display = "none";
object.visible = false;
} else {
object.element.style.display = "";
object.element.style.height = object.userData.bondLengthFull;
object.visible = true;
}
}
}
function showAtomsBonds() {
for ( var i = 0; i < objects.length; i ++ ) {
var object = objects[ i ];
object.element.style.display = "";
object.visible = true;
if ( ! ( object instanceof THREE.CSS3DSprite ) ) {
object.element.style.height = object.userData.bondLengthShort;
}
}
}
//
function colorify( ctx, width, height, color, a ) {
var r = color.r;
var g = color.g;
var b = color.b;
var imageData = ctx.getImageData( 0, 0, width, height );
var data = imageData.data;
for ( var y = 0; y < height; y ++ ) {
for ( var x = 0; x < width; x ++ ) {
var index = ( y * width + x ) * 4;
data[ index ] *= r;
data[ index + 1 ] *= g;
data[ index + 2 ] *= b;
data[ index + 3 ] *= a;
}
}
ctx.putImageData( imageData, 0, 0 );
}
function imageToCanvas( image ) {
var width = image.width;
var height = image.height;
var canvas = document.createElement( 'canvas' );
canvas.width = width;
canvas.height = height;
var context = canvas.getContext( '2d' );
context.drawImage( image, 0, 0, width, height );
return canvas;
}
//
function loadMolecule( url ) {
for ( var i = 0; i < objects.length; i ++ ) {
var object = objects[ i ];
object.parent.remove( object );
}
objects = [];
loader.load( url, function ( geometry, geometryBonds ) {
var offset = geometry.center();
geometryBonds.applyMatrix( new THREE.Matrix4().makeTranslation( offset.x, offset.y, offset.z ) );
for ( var i = 0; i < geometry.vertices.length; i ++ ) {
var position = geometry.vertices[ i ];
var color = geometry.colors[ i ];
var element = geometry.elements[ i ];
if ( ! colorSpriteMap[ element ] ) {
var canvas = imageToCanvas( baseSprite );
var context = canvas.getContext( '2d' );
colorify( context, canvas.width, canvas.height, color, 1 );
var dataUrl = canvas.toDataURL();
colorSpriteMap[ element ] = dataUrl;
}
colorSprite = colorSpriteMap[ element ];
var atom = document.createElement( 'img' );
atom.src = colorSprite;
var object = new THREE.CSS3DSprite( atom );
object.position.copy( position );
object.position.multiplyScalar( 75 );
object.matrixAutoUpdate = false;
object.updateMatrix();
root.add( object );
objects.push( object );
}
for ( var i = 0; i < geometryBonds.vertices.length; i += 2 ) {
var start = geometryBonds.vertices[ i ];
var end = geometryBonds.vertices[ i + 1 ];
start.multiplyScalar( 75 );
end.multiplyScalar( 75 );
tmpVec1.subVectors( end, start );
var bondLength = tmpVec1.length() - 50;
//
var bond = document.createElement( 'div' );
bond.className = "bond";
bond.style.height = bondLength + "px";
var object = new THREE.CSS3DObject( bond );
object.position.copy( start );
object.position.lerp( end, 0.5 );
object.userData.bondLengthShort = bondLength + "px";
object.userData.bondLengthFull = ( bondLength + 55 ) + "px";
//
var axis = tmpVec2.set( 0, 1, 0 ).cross( tmpVec1 );
var radians = Math.acos( tmpVec3.set( 0, 1, 0 ).dot( tmpVec4.copy( tmpVec1 ).normalize() ) );
var objMatrix = new THREE.Matrix4().makeRotationAxis( axis.normalize(), radians );
object.matrix = objMatrix;
object.rotation.setFromRotationMatrix( object.matrix, object.rotation.order );
object.matrixAutoUpdate = false;
object.updateMatrix();
root.add( object );
objects.push( object );
//
var bond = document.createElement( 'div' );
bond.className = "bond";
bond.style.height = bondLength + "px";
var joint = new THREE.Object3D( bond );
joint.position.copy( start );
joint.position.lerp( end, 0.5 );
joint.matrix.copy( objMatrix );
joint.rotation.setFromRotationMatrix( joint.matrix, joint.rotation.order );
joint.matrixAutoUpdate = false;
joint.updateMatrix();
var object = new THREE.CSS3DObject( bond );
object.rotation.y = Math.PI/2;
object.matrixAutoUpdate = false;
object.updateMatrix();
object.userData.bondLengthShort = bondLength + "px";
object.userData.bondLengthFull = ( bondLength + 55 ) + "px";
object.userData.joint = joint;
joint.add( object );
root.add( joint );
objects.push( object );
}
//console.log( "CSS3DObjects:", objects.length );
switch ( visualizationType ) {
case 0: showAtoms(); break;
case 1: showBonds(); break;
case 2: showAtomsBonds(); break;
}
render();
} );
}
//
function onWindowResize() {
camera.aspect = window.innerWidth / window.innerHeight;
camera.updateProjectionMatrix();
renderer.setSize( window.innerWidth, window.innerHeight );
render();
}
function animate() {
requestAnimationFrame( animate );
controls.update();
var time = Date.now() * 0.0004;
root.rotation.x = time;
root.rotation.y = time * 0.7;
render();
}
function render() {
renderer.render( scene, camera );
}
</script>
</body>
</html>