3dmol

<!DOCTYPE html><html lang="en" style="font-size:16px"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width,initial-scale=1"><meta name="Author" content="David Koes & 3Dmoljs Contributors"><meta name="Description" content="A modern, object-oriented JavaScript library for visualizing molecular data"><title>Source: Gradient.ts</title><script src="scripts/third-party/hljs.js" defer="defer"></script><script src="scripts/third-party/hljs-line-num.js" defer="defer"></script><script src="scripts/third-party/popper.js" defer="defer"></script><script src="scripts/third-party/tippy.js" defer="defer"></script><script src="scripts/third-party/tocbot.min.js"></script><script>var baseURL="/",locationPathname="";baseURL=(locationPathname=document.location.pathname).substr(0,locationPathname.lastIndexOf("/")+1)</script><link rel="stylesheet" href="styles/clean-jsdoc-theme.min.css"><style>article ul li{list-style:disc}</style><svg aria-hidden="true" version="1.1" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" style="display:none"><defs><symbol id="copy-icon" viewbox="0 0 488.3 488.3"><g><path d="M314.25,85.4h-227c-21.3,0-38.6,17.3-38.6,38.6v325.7c0,21.3,17.3,38.6,38.6,38.6h227c21.3,0,38.6-17.3,38.6-38.6V124 C352.75,102.7,335.45,85.4,314.25,85.4z M325.75,449.6c0,6.4-5.2,11.6-11.6,11.6h-227c-6.4,0-11.6-5.2-11.6-11.6V124 c0-6.4,5.2-11.6,11.6-11.6h227c6.4,0,11.6,5.2,11.6,11.6V449.6z"/><path d="M401.05,0h-227c-21.3,0-38.6,17.3-38.6,38.6c0,7.5,6,13.5,13.5,13.5s13.5-6,13.5-13.5c0-6.4,5.2-11.6,11.6-11.6h227 c6.4,0,11.6,5.2,11.6,11.6v325.7c0,6.4-5.2,11.6-11.6,11.6c-7.5,0-13.5,6-13.5,13.5s6,13.5,13.5,13.5c21.3,0,38.6-17.3,38.6-38.6 V38.6C439.65,17.3,422.35,0,401.05,0z"/></g></symbol><symbol id="search-icon" viewBox="0 0 512 512"><g><g><path d="M225.474,0C101.151,0,0,101.151,0,225.474c0,124.33,101.151,225.474,225.474,225.474 c124.33,0,225.474-101.144,225.474-225.474C450.948,101.151,349.804,0,225.474,0z M225.474,409.323 c-101.373,0-183.848-82.475-183.848-183.848S124.101,41.626,225.474,41.626s183.848,82.475,183.848,183.848 S326.847,409.323,225.474,409.323z"/></g></g><g><g><path d="M505.902,476.472L386.574,357.144c-8.131-8.131-21.299-8.131-29.43,0c-8.131,8.124-8.131,21.306,0,29.43l119.328,119.328 c4.065,4.065,9.387,6.098,14.715,6.098c5.321,0,10.649-2.033,14.715-6.098C514.033,497.778,514.033,484.596,505.902,476.472z"/></g></g></symbol><symbol id="font-size-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M11.246 15H4.754l-2 5H.6L7 4h2l6.4 16h-2.154l-2-5zm-.8-2L8 6.885 5.554 13h4.892zM21 12.535V12h2v8h-2v-.535a4 4 0 1 1 0-6.93zM19 18a2 2 0 1 0 0-4 2 2 0 0 0 0 4z"/></symbol><symbol id="add-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M11 11V5h2v6h6v2h-6v6h-2v-6H5v-2z"/></symbol><symbol id="minus-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M5 11h14v2H5z"/></symbol><symbol id="dark-theme-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M10 7a7 7 0 0 0 12 4.9v.1c0 5.523-4.477 10-10 10S2 17.523 2 12 6.477 2 12 2h.1A6.979 6.979 0 0 0 10 7zm-6 5a8 8 0 0 0 15.062 3.762A9 9 0 0 1 8.238 4.938 7.999 7.999 0 0 0 4 12z"/></symbol><symbol id="light-theme-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M12 18a6 6 0 1 1 0-12 6 6 0 0 1 0 12zm0-2a4 4 0 1 0 0-8 4 4 0 0 0 0 8zM11 1h2v3h-2V1zm0 19h2v3h-2v-3zM3.515 4.929l1.414-1.414L7.05 5.636 5.636 7.05 3.515 4.93zM16.95 18.364l1.414-1.414 2.121 2.121-1.414 1.414-2.121-2.121zm2.121-14.85l1.414 1.415-2.121 2.121-1.414-1.414 2.121-2.121zM5.636 16.95l1.414 1.414-2.121 2.121-1.414-1.414 2.121-2.121zM23 11v2h-3v-2h3zM4 11v2H1v-2h3z"/></symbol><symbol id="reset-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M18.537 19.567A9.961 9.961 0 0 1 12 22C6.477 22 2 17.523 2 12S6.477 2 12 2s10 4.477 10 10c0 2.136-.67 4.116-1.81 5.74L17 12h3a8 8 0 1 0-2.46 5.772l.997 1.795z"/></symbol><symbol id="down-icon" viewBox="0 0 16 16"><path fill-rule="evenodd" clip-rule="evenodd" d="M12.7803 6.21967C13.0732 6.51256 13.0732 6.98744 12.7803 7.28033L8.53033 11.5303C8.23744 11.8232 7.76256 11.8232 7.46967 11.5303L3.21967 7.28033C2.92678 6.98744 2.92678 6.51256 3.21967 6.21967C3.51256 5.92678 3.98744 5.92678 4.28033 6.21967L8 9.93934L11.7197 6.21967C12.0126 5.92678 12.4874 5.92678 12.7803 6.21967Z"></path></symbol><symbol id="codepen-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M16.5 13.202L13 15.535v3.596L19.197 15 16.5 13.202zM14.697 12L12 10.202 9.303 12 12 13.798 14.697 12zM20 10.869L18.303 12 20 13.131V10.87zM19.197 9L13 4.869v3.596l3.5 2.333L19.197 9zM7.5 10.798L11 8.465V4.869L4.803 9 7.5 10.798zM4.803 15L11 19.131v-3.596l-3.5-2.333L4.803 15zM4 13.131L5.697 12 4 10.869v2.262zM2 9a1 1 0 0 1 .445-.832l9-6a1 1 0 0 1 1.11 0l9 6A1 1 0 0 1 22 9v6a1 1 0 0 1-.445.832l-9 6a1 1 0 0 1-1.11 0l-9-6A1 1 0 0 1 2 15V9z"/></symbol><symbol id="close-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M12 10.586l4.95-4.95 1.414 1.414-4.95 4.95 4.95 4.95-1.414 1.414-4.95-4.95-4.95 4.95-1.414-1.414 4.95-4.95-4.95-4.95L7.05 5.636z"/></symbol><symbol id="menu-icon" viewBox="0 0 24 24"><path fill="none" d="M0 0h24v24H0z"/><path d="M3 4h18v2H3V4zm0 7h18v2H3v-2zm0 7h18v2H3v-2z"/></symbol></defs></svg></head><body data-theme="light"><div class="sidebar-container"><div class="sidebar" id="sidebar"><a href="/" class="sidebar-title sidebar-title-anchor">3Dmol.js</a><div class="sidebar-items-container"><div class="sidebar-section-title with-arrow" data-isopen="false" id="mei5HJjYKLn6aua5Z5PM5"><div>Classes</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="$3Dmol.Label.html">Label</a></div><div class="sidebar-section-children"><a href="$3Dmol.StateManager.html">StateManager</a></div><div class="sidebar-section-children"><a href="$3Dmol.UI.html">UI</a></div><div class="sidebar-section-children"><a href="Color.html">Color</a></div><div class="sidebar-section-children"><a href="CustomLinear.html">CustomLinear</a></div><div class="sidebar-section-children"><a href="Cylinder.html">Cylinder</a></div><div class="sidebar-section-children"><a href="GLModel.html">GLModel</a></div><div class="sidebar-section-children"><a href="GLShape.html">GLShape</a></div><div class="sidebar-section-children"><a href="GLShape_GLShape.html">GLShape</a></div><div class="sidebar-section-children"><a href="GLViewer.html">GLViewer</a></div><div class="sidebar-section-children"><a href="GLVolumetricRender.html">GLVolumetricRender</a></div><div class="sidebar-section-children"><a href="Matrix3.html">Matrix3</a></div><div class="sidebar-section-children"><a href="Matrix4.html">Matrix4</a></div><div class="sidebar-section-children"><a href="Quaternion.html">Quaternion</a></div><div class="sidebar-section-children"><a href="ROYGB.html">ROYGB</a></div><div class="sidebar-section-children"><a href="RWB.html">RWB</a></div><div class="sidebar-section-children"><a href="Ray.html">Ray</a></div><div class="sidebar-section-children"><a href="Sinebow.html">Sinebow</a></div><div class="sidebar-section-children"><a href="Sphere.html">Sphere</a></div><div class="sidebar-section-children"><a href="Surface.html">Surface</a></div><div class="sidebar-section-children"><a href="Triangle.html">Triangle</a></div><div class="sidebar-section-children"><a href="Vector2.html">Vector2</a></div><div class="sidebar-section-children"><a href="Vector3.html">Vector3</a></div><div class="sidebar-section-children"><a href="VolumeData.html">VolumeData</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="kv4Yx5z0THf_b8XR4Gje1"><div>Namespaces</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="GLDraw.html">GLDraw</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="ykThSufQWJcKGT1kXzr-A"><div>Tutorials</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="tutorial-code.html">Using 3Dmol within your code</a></div><div class="sidebar-section-children"><a href="tutorial-embeddable.html">Embedding a 3Dmol Viewer</a></div><div class="sidebar-section-children"><a href="tutorial-home.html">3Dmol Tutorials - Home</a></div><div class="sidebar-section-children"><a href="tutorial-learning_environment.html">Active Learning with 3Dmol.js</a></div><div class="sidebar-section-children"><a href="tutorial-url.html">Viewing Molecules with the 3Dmol Server</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="XcP4RUEg6tp7YKHbBVi9E"><div>Interfaces</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="AmbientOcclusionStyle.html">AmbientOcclusionStyle</a></div><div class="sidebar-section-children"><a href="ArrowSpec.html">ArrowSpec</a></div><div class="sidebar-section-children"><a href="AtomSelectionSpec.html">AtomSelectionSpec</a></div><div class="sidebar-section-children"><a href="AtomSpec.html">AtomSpec</a></div><div class="sidebar-section-children"><a href="AtomStyleSpec.html">AtomStyleSpec</a></div><div class="sidebar-section-children"><a href="BondStyle.html">BondStyle</a></div><div class="sidebar-section-children"><a href="BoxSpec.html">BoxSpec</a></div><div class="sidebar-section-children"><a href="CartoonStyleSpec.html">CartoonStyleSpec</a></div><div class="sidebar-section-children"><a href="ClickSphereStyleSpec.html">ClickSphereStyleSpec</a></div><div class="sidebar-section-children"><a href="CrossStyleSpec.html">CrossStyleSpec</a></div><div class="sidebar-section-children"><a href="CurveSpec.html">CurveSpec</a></div><div class="sidebar-section-children"><a href="CustomShapeSpec.html">CustomShapeSpec</a></div><div class="sidebar-section-children"><a href="CylinderSpec.html">CylinderSpec</a></div><div class="sidebar-section-children"><a href="DashedBondSpec.html">DashedBondSpec</a></div><div class="sidebar-section-children"><a href="FogSpec.html">FogSpec</a></div><div class="sidebar-section-children"><a href="IsoSurfaceSpec.html">IsoSurfaceSpec</a></div><div class="sidebar-section-children"><a href="LabelSpec.html">LabelSpec</a></div><div class="sidebar-section-children"><a href="LineSpec.html">LineSpec</a></div><div class="sidebar-section-children"><a href="LineStyleSpec.html">LineStyleSpec</a></div><div class="sidebar-section-children"><a href="OutlineStyle.html">OutlineStyle</a></div><div class="sidebar-section-children"><a href="ParserOptionsSpec.html">ParserOptionsSpec</a></div><div class="sidebar-section-children"><a href="ShapeSpec.html">ShapeSpec</a></div><div class="sidebar-section-children"><a href="SphereSpec.html">SphereSpec</a></div><div class="sidebar-section-children"><a href="SphereStyleSpec.html">SphereStyleSpec</a></div><div class="sidebar-section-children"><a href="StickStyleSpec.html">StickStyleSpec</a></div><div class="sidebar-section-children"><a href="SurfaceStyleSpec.html">SurfaceStyleSpec</a></div><div class="sidebar-section-children"><a href="UnitCellStyleSpec.html">UnitCellStyleSpec</a></div><div class="sidebar-section-children"><a href="ViewStyle.html">ViewStyle</a></div><div class="sidebar-section-children"><a href="ViewerGridSpec.html">ViewerGridSpec</a></div><div class="sidebar-section-children"><a href="ViewerSpec.html">ViewerSpec</a></div><div class="sidebar-section-children"><a href="VolumetricRendererSpec.html">VolumetricRendererSpec</a></div><div class="sidebar-section-children"><a href="WithinSelectionSpec.html">WithinSelectionSpec</a></div><div class="sidebar-section-children"><a href="global.html#XYZ">XYZ</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="jmKnIXRJjdjZ366ci7cdd"><div>Global</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="global.html#BCIF">BCIF</a></div><div class="sidebar-section-children"><a href="global.html#CAP">CAP</a></div><div class="sidebar-section-children"><a href="global.html#CDJSON">CDJSON</a></div><div class="sidebar-section-children"><a href="global.html#CIF">CIF</a></div><div class="sidebar-section-children"><a href="global.html#CUBE">CUBE</a></div><div class="sidebar-section-children"><a href="global.html#ColorSpec">ColorSpec</a></div><div class="sidebar-section-children"><a href="global.html#ColorschemeSpec">ColorschemeSpec</a></div><div class="sidebar-section-children"><a href="global.html#GRO">GRO</a></div><div class="sidebar-section-children"><a href="global.html#GradientSpec">GradientSpec</a></div><div class="sidebar-section-children"><a href="global.html#MMTFparser">MMTFparser</a></div><div class="sidebar-section-children"><a href="global.html#MOL2">MOL2</a></div><div class="sidebar-section-children"><a href="global.html#OFFSETS">OFFSETS</a></div><div class="sidebar-section-children"><a href="global.html#PDB">PDB</a></div><div class="sidebar-section-children"><a href="global.html#PQR">PQR</a></div><div class="sidebar-section-children"><a href="global.html#PRMTOP">PRMTOP</a></div><div class="sidebar-section-children"><a href="global.html#SDF">SDF</a></div><div class="sidebar-section-children"><a href="global.html#SurfaceType">SurfaceType</a></div><div class="sidebar-section-children"><a href="global.html#VASP">VASP</a></div><div class="sidebar-section-children"><a href="global.html#XYZ">XYZ</a></div><div class="sidebar-section-children"><a href="global.html#assignPDBBonds">assignPDBBonds</a></div><div class="sidebar-section-children"><a href="global.html#builtinColorSchemes">builtinColorSchemes</a></div><div class="sidebar-section-children"><a href="global.html#builtinGradients">builtinGradients</a></div><div class="sidebar-section-children"><a href="global.html#conversionMatrix3">conversionMatrix3</a></div><div class="sidebar-section-children"><a href="global.html#createViewer">createViewer</a></div><div class="sidebar-section-children"><a href="global.html#createViewerGrid">createViewerGrid</a></div><div class="sidebar-section-children"><a href="global.html#decode">decode</a></div><div class="sidebar-section-children"><a href="global.html#dic">dic</a></div><div class="sidebar-section-children"><a href="global.html#download">download</a></div><div class="sidebar-section-children"><a href="global.html#elementColors">elementColors</a></div><div class="sidebar-section-children"><a href="global.html#get">get</a></div><div class="sidebar-section-children"><a href="global.html#getColorFromStyle">getColorFromStyle</a></div><div class="sidebar-section-children"><a href="global.html#getbin">getbin</a></div><div class="sidebar-section-children"><a href="global.html#parseV3000">parseV3000</a></div><div class="sidebar-section-children"><a href="global.html#setSyncSurface">setSyncSurface</a></div><div class="sidebar-section-children"><a href="global.html#ssColors">ssColors</a></div><div class="sidebar-section-children"><a href="global.html#syncSurface">syncSurface</a></div><div class="sidebar-section-children"><a href="global.html#viewers">viewers</a></div></div></div></div></div><div class="navbar-container" id="VuAckcnZhf"><nav class="navbar"><div class="navbar-left-items"><div class="navbar-item"><a id="" href="https://3dmol.org/doc/index.html" target="">Documentation</a></div><div class="navbar-item"><a id="" href="tutorial-home.html" target="">Tutorials</a></div><div class="navbar-item"><a id="" href="https://github.com/3dmol/3Dmol.js" target="_blank">GitHub</a></div></div><div class="navbar-right-items"><div class="navbar-right-item"><button class="icon-button search-button" aria-label="open-search"><svg><use xlink:href="#search-icon"></use></svg></button></div><div class="navbar-right-item"><button class="icon-button theme-toggle" aria-label="toggle-theme"><svg><use class="theme-svg-use" xlink:href="#dark-theme-icon"></use></svg></button></div><div class="navbar-right-item"><button class="icon-button font-size" aria-label="change-font-size"><svg><use xlink:href="#font-size-icon"></use></svg></button></div></div><nav></nav></nav></div><div class="toc-container"><div class="toc-content"><span class="bold">On this page</span><div id="eed4d2a0bfd64539bb9df78095dec881"></div></div></div><div class="body-wrapper"><div class="main-content"><div class="main-wrapper"><section id="source-page" class="source-page"><header><h1 id="title" class="has-anchor">Gradient.ts</h1></header><article><pre class="prettyprint source lang-js"><code>import { CC, Color, ColorSpec } from "./colors"; export abstract class GradientType { gradient?: string; abstract valueToHex(value: number, range?: number[]): number; abstract range(): number[] | null; } export function normalizeValue( lo: number, hi: number, val: number ): { lo: number; hi: number; val: number } { if (hi >= lo) { if (val < lo) val = lo; if (val > hi) val = hi; return { lo: lo, hi: hi, val: val }; } else { if (val > lo) val = lo; if (val < hi) val = hi; //flip the meaning of val, lo, hi val = lo - val + hi; return { lo: hi, hi: lo, val: val }; } } /** * Gradient specification. * @see builtinGradients */ export type GradientSpec = { /** Kind of gradient. E.g. RWB, ROYGB, sinebow. Can also specify linear[_color]* as a * shorthand for CustomLinear and passing a colors array. */ gradient?: string; /** Lower range of gradient */ min?: number; /** Upper range of gradient */ max?: number; /** {AtomSpec} property to use for gradient calculation. E.g., 'b' for temperature factors of a PDB. */ prop?: string; /** mid point value for gradient (for rwb) */ mid?: number; /** Custom colors for gradient (for {@link CustomLinear}) */ colors?: Array<ColorSpec>; /** map of a certain {@link AtomSpec} property to a color of the form `{'prop': 'elem', map:elementColors.greenCarbon}` Allows the user to provide a mapping of elements to colors to the colorscheme. This can be done with any properties, and not just 'elem'. */ map?: Record<string, unknown> }; //return a Gradient object, even if what is specified is descriptive export function getGradient(grad: GradientSpec|GradientType): GradientType { if (grad instanceof GradientType) { return grad; } else if (grad.gradient !== undefined && builtinGradients[grad.gradient] ) { let min = grad.min === undefined ? -1 : grad.min; let max = grad.max === undefined ? 1 : grad.max; if (grad.mid === undefined) { if (grad.colors === undefined) { return new builtinGradients[grad.gradient](min, max); } else { return new builtinGradients[grad.gradient](min, max, grad.colors); } } else { return new builtinGradients[grad.gradient](min, max, grad.mid); } } else if(typeof(grad.gradient) == "string" && grad.gradient.startsWith('linear_')) { let colors = grad.gradient.split('_'); colors.shift(); let min = grad.min === undefined ? -1 : grad.min; let max = grad.max === undefined ? 1 : grad.max; return new CustomLinear(min,max,colors); } return grad as GradientType; } /** * Color scheme red to white to blue, for charges * Reverse gradients are supported when min>max so that the colors are displayed in reverse order. * @subcategory Gradients */ export class RWB extends GradientType { gradient = "RWB"; min: number; max: number; mid?: number; mult: number; constructor(min?: number | [number, number], max?: number, mid?: number) { super(); this.mult = 1.0; this.mid = mid; this.min = min as number; this.max = max as number; if (typeof max == "undefined" && Array.isArray(min) && min.length >= 2) { //we were passed a single range this.max = min[1]; this.min = min[0]; } else if (!!min && !!max && !Array.isArray(min)) { this.min = min; this.max = max; } } //return range used for color mapping, null if none set range() { if (typeof this.min != "undefined" && typeof this.max != "undefined") { return [this.min, this.max] as [number, number]; } return null; } //map value to hex color, range is provided valueToHex(val: number, range?: number[]) { var lo: number, hi: number; val = this.mult * val; //reverse if necessary if (range) { lo = range[0]; hi = range[1]; } else { lo = this.min; hi = this.max; } if (val === undefined) return 0xffffff; var norm = normalizeValue(lo, hi, val); lo = norm.lo; hi = norm.hi; val = norm.val; var middle = (hi + lo) / 2; if (range && typeof range[2] != "undefined") middle = range[2]; else if (typeof this.mid != "undefined") middle = this.mid; //allow user to specify midpoint else middle = (lo + hi) / 2; var scale: number, color: number; //scale bottom from red to white if (val < middle) { scale = Math.floor(255 * Math.sqrt((val - lo) / (middle - lo))); color = 0xff0000 + 0x100 * scale + scale; return color; } else if (val > middle) { //form white to blue scale = Math.floor(255 * Math.sqrt(1 - (val - middle) / (hi - middle))); color = 0x10000 * scale + 0x100 * scale + 0xff; return color; } else { //val == middle return 0xffffff; } } } /** * rainbow gradient, but without purple to match jmol * Reverse gradients are supported when min>max so that the colors are displayed in reverse order. * @subcategory Gradients */ export class ROYGB extends GradientType { gradient = "ROYGB"; mult: number; max?: number; min?: number; constructor(min?: number, max?: number) { super(); this.mult = 1.0; this.min = min; this.max = max; if (typeof max == "undefined" && Array.isArray(min) && min.length >= 2) { //we were passed a single range this.max = min[1]; this.min = min[0]; } else if (!!min && !!max && !Array.isArray(min)) { this.min = min; this.max = max; } }; //map value to hex color, range is provided valueToHex(val: number, range?: any[]) { var lo: number, hi: number; val = this.mult * val; if (range) { lo = range[0]; hi = range[1]; } else { lo = this.min!; hi = this.max!; } if (typeof val == "undefined") return 0xffffff; var norm = normalizeValue(lo, hi, val); lo = norm.lo; hi = norm.hi; val = norm.val; var mid = (lo + hi) / 2; var q1 = (lo + mid) / 2; var q3 = (mid + hi) / 2; var scale: number, color: number; if (val < q1) { //scale green up, red up, blue down scale = Math.floor(255 * Math.sqrt((val - lo) / (q1 - lo))); color = 0xff0000 + 0x100 * scale + 0; return color; } else if (val < mid) { //scale red down, green up, blue down scale = Math.floor(255 * Math.sqrt(1 - (val - q1) / (mid - q1))); color = 0x010000 * scale + 0xff00 + 0x0; return color; } else if (val < q3) { //scale blue up, red down, green up scale = Math.floor(255 * Math.sqrt((val - mid) / (q3 - mid))); color = 0x000000 + 0xff00 + 0x1 * scale; return color; } else { //scale green down, blue up, red down scale = Math.floor(255 * Math.sqrt(1 - (val - q3) / (hi - q3))); color = 0x000000 + 0x0100 * scale + 0xff; return color; } }; //return range used for color mapping, null if none set range() { if (typeof this.min != "undefined" && typeof this.max != "undefined") { return [this.min, this.max] as [number, number]; } return null; }; } /** * rainbow gradient with constant saturation, all the way to purple! * Reverse gradients are supported when min>max so that the colors are displayed in reverse order. * @subcategory Gradients * * @example $.get('data/1fas.pqr', function(data){ viewer.addModel(data, "pqr"); $.get("data/1fas.cube",function(volumedata){ viewer.addSurface($3Dmol.SurfaceType.VDW, { opacity:0.85, voldata: new $3Dmol.VolumeData(volumedata, "cube"), volscheme: new $3Dmol.Gradient.Sinebow(2,0,1) },{}); viewer.render(); }); viewer.zoomTo(); }); */ export class Sinebow extends GradientType { gradient = "Sinebow"; mult: number; max: number; min: number; constructor(min: number, max: number) { super(); this.mult = 1.0; this.min = min; this.max = max; if (typeof max == "undefined" && Array.isArray(min) && min.length >= 2) { //we were passed a single range this.max = min[1]; this.min = min[0]; } if (max < min) { //reverse the order this.mult = -1.0; this.min *= -1.0; this.max *= -1.0; } }; //map value to hex color, range is provided valueToHex(val: number, range?: any[]) { var lo: number, hi: number; val = this.mult * val; if (range) { lo = range[0]; hi = range[1]; } else { lo = this.min; hi = this.max; } if (typeof val == "undefined") return 0xffffff; var norm = Gradient.normalizeValue(lo, hi, val); lo = norm.lo; hi = norm.hi; val = norm.val; var scale = (val - lo) / (hi - lo); var h = (5 * scale) / 6.0 + 0.5; var r = Math.sin(Math.PI * h); r *= r * 255; var g = Math.sin(Math.PI * (h + 1 / 3.0)); g *= g * 255; var b = Math.sin(Math.PI * (h + 2 / 3.0)); b *= b * 255; return ( 0x10000 * Math.floor(r) + 0x100 * Math.floor(b) + 0x1 * Math.floor(g) ); }; //return range used for color mapping, null if none set range() { if (typeof this.min != "undefined" && typeof this.max != "undefined") { return [this.min, this.max] as [number, number]; } return null; }; } /** * Custom linear gradient using user supplied colors. * Reverse gradients are supported when min>max so that the colors are displayed in reverse order. * Midpoints are not supported - color map should be specified to get desired middle color. * * @param {number} min * @param {number} max * @param {Array} colors Array of colors that will be linearly interpolated between from min to max values. * @subcategory Gradients * * @example $3Dmol.get('../test_structs/af.pdb', function(data){ viewer.addModel(data); viewer.setStyle({cartoon:{colorscheme:{prop: 'b', gradient:'linear', min: 70, max: 100, colors: ["blue","yellow","green"]}}}); viewer.zoomTo(); viewer.render(); }); */ export class CustomLinear extends GradientType { gradient = "linear"; min: number; max: number; colors = new Array<Color>(); constructor(min: any, max: any, colors?: any) { super(); var carr: Array<any>; if (Array.isArray(min) && min.length >= 2) { //we were passed a single range this.max = min[1] as number; this.min = min[0] as number; carr = max; } else { this.min = min as number; this.max = max as number; carr = colors; } //convert colors if (carr) { for (let c of carr) { this.colors.push(CC.color(c)); } } else { this.colors.push(CC.color(0)); } } //return range used for color mapping, null if none set range() { if (typeof this.min != "undefined" && typeof this.max != "undefined") { return [this.min, this.max] as [number, number]; } return null; } //map value to hex color, range is provided valueToHex(val: number, range?: any[]) { var lo: number, hi: number; if (range) { lo = range[0]; hi = range[1]; } else { lo = this.min; hi = this.max; } if (val === undefined) return 0xffffff; var norm = normalizeValue(lo, hi, val); lo = norm.lo; hi = norm.hi; val = norm.val; let nsteps = this.colors.length; let stepsize = (hi - lo) / nsteps; let startpos = Math.min(Math.floor((val - lo) / stepsize), nsteps - 1); let endpos = Math.min(startpos + 1, nsteps - 1); let frac = (val - lo - (startpos * stepsize)) / stepsize; let startcol = this.colors[startpos]; let endcol = this.colors[endpos]; let col = new Color(startcol.r + frac * (endcol.r - startcol.r), startcol.g + frac * (endcol.g - startcol.g), startcol.b + frac * (endcol.b - startcol.b)); return col.getHex(); } } /** * built in gradient schemes * The user can pass these strings directly as the gradient * @prop rwb - red/white/blue, supports setting a mid point for white * @prop roygb - rainbow * @prop sinebow - rainbow with better saturation properties * @prop linear - linearly maps between provided colors * */ export const builtinGradients = { "rwb": RWB, "RWB": RWB, "roygb": ROYGB, "ROYGB": ROYGB, "sinebow": Sinebow, "linear": CustomLinear }; export class Gradient extends GradientType { static RWB = RWB; static ROYGB = ROYGB; static Sinebow = Sinebow; static CustomLinear = CustomLinear; static builtinGradients = builtinGradients; static normalizeValue = normalizeValue; static getGradient = getGradient; valueToHex(_value: number, _range?: number[]): number { return 0; } range(): [number, number] | null { return null; } }</code></pre></article></section><footer class="footer" id="PeOAagUepe"><div class="wrapper">3Dmol.js © 2019-2024 | <a href="https://pitt.edu/" target="_blank">University of Pittsburgh</a> | <a href="https://github.com/3dmol/3Dmol.js/blob/master/LICENSE" target="_blank">License</a></div></footer></div></div></div><div class="search-container" id="PkfLWpAbet" style="display:none"><div class="wrapper" id="iCxFxjkHbP"><button class="icon-button search-close-button" id="VjLlGakifb" aria-label="close search"><svg><use xlink:href="#close-icon"></use></svg></button><div class="search-box-c"><svg><use xlink:href="#search-icon"></use></svg> <input type="text" id="vpcKVYIppa" class="search-input" placeholder="Search..." autofocus></div><div class="search-result-c" id="fWwVHRuDuN"><span class="search-result-c-text">Type anything to view search result</span></div></div></div><div class="mobile-menu-icon-container"><button class="icon-button" id="mobile-menu" data-isopen="false" aria-label="menu"><svg><use xlink:href="#menu-icon"></use></svg></button></div><div id="mobile-sidebar" class="mobile-sidebar-container"><div class="mobile-sidebar-wrapper"><a href="/" class="sidebar-title sidebar-title-anchor">3Dmol.js</a><div class="mobile-nav-links"><div class="navbar-item"><a id="" href="https://3dmol.org/doc/index.html" target="">Documentation</a></div><div class="navbar-item"><a id="" href="tutorial-home.html" target="">Tutorials</a></div><div class="navbar-item"><a id="" href="https://github.com/3dmol/3Dmol.js" target="_blank">GitHub</a></div></div><div class="mobile-sidebar-items-c"><div class="sidebar-section-title with-arrow" data-isopen="false" id="mei5HJjYKLn6aua5Z5PM5"><div>Classes</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="$3Dmol.Label.html">Label</a></div><div class="sidebar-section-children"><a href="$3Dmol.StateManager.html">StateManager</a></div><div class="sidebar-section-children"><a href="$3Dmol.UI.html">UI</a></div><div class="sidebar-section-children"><a href="Color.html">Color</a></div><div class="sidebar-section-children"><a href="CustomLinear.html">CustomLinear</a></div><div class="sidebar-section-children"><a href="Cylinder.html">Cylinder</a></div><div class="sidebar-section-children"><a href="GLModel.html">GLModel</a></div><div class="sidebar-section-children"><a href="GLShape.html">GLShape</a></div><div class="sidebar-section-children"><a href="GLShape_GLShape.html">GLShape</a></div><div class="sidebar-section-children"><a href="GLViewer.html">GLViewer</a></div><div class="sidebar-section-children"><a href="GLVolumetricRender.html">GLVolumetricRender</a></div><div class="sidebar-section-children"><a href="Matrix3.html">Matrix3</a></div><div class="sidebar-section-children"><a href="Matrix4.html">Matrix4</a></div><div class="sidebar-section-children"><a href="Quaternion.html">Quaternion</a></div><div class="sidebar-section-children"><a href="ROYGB.html">ROYGB</a></div><div class="sidebar-section-children"><a href="RWB.html">RWB</a></div><div class="sidebar-section-children"><a href="Ray.html">Ray</a></div><div class="sidebar-section-children"><a href="Sinebow.html">Sinebow</a></div><div class="sidebar-section-children"><a href="Sphere.html">Sphere</a></div><div class="sidebar-section-children"><a href="Surface.html">Surface</a></div><div class="sidebar-section-children"><a href="Triangle.html">Triangle</a></div><div class="sidebar-section-children"><a href="Vector2.html">Vector2</a></div><div class="sidebar-section-children"><a href="Vector3.html">Vector3</a></div><div class="sidebar-section-children"><a href="VolumeData.html">VolumeData</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="kv4Yx5z0THf_b8XR4Gje1"><div>Namespaces</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="GLDraw.html">GLDraw</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="ykThSufQWJcKGT1kXzr-A"><div>Tutorials</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="tutorial-code.html">Using 3Dmol within your code</a></div><div class="sidebar-section-children"><a href="tutorial-embeddable.html">Embedding a 3Dmol Viewer</a></div><div class="sidebar-section-children"><a href="tutorial-home.html">3Dmol Tutorials - Home</a></div><div class="sidebar-section-children"><a href="tutorial-learning_environment.html">Active Learning with 3Dmol.js</a></div><div class="sidebar-section-children"><a href="tutorial-url.html">Viewing Molecules with the 3Dmol Server</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="XcP4RUEg6tp7YKHbBVi9E"><div>Interfaces</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="AmbientOcclusionStyle.html">AmbientOcclusionStyle</a></div><div class="sidebar-section-children"><a href="ArrowSpec.html">ArrowSpec</a></div><div class="sidebar-section-children"><a href="AtomSelectionSpec.html">AtomSelectionSpec</a></div><div class="sidebar-section-children"><a href="AtomSpec.html">AtomSpec</a></div><div class="sidebar-section-children"><a href="AtomStyleSpec.html">AtomStyleSpec</a></div><div class="sidebar-section-children"><a href="BondStyle.html">BondStyle</a></div><div class="sidebar-section-children"><a href="BoxSpec.html">BoxSpec</a></div><div class="sidebar-section-children"><a href="CartoonStyleSpec.html">CartoonStyleSpec</a></div><div class="sidebar-section-children"><a href="ClickSphereStyleSpec.html">ClickSphereStyleSpec</a></div><div class="sidebar-section-children"><a href="CrossStyleSpec.html">CrossStyleSpec</a></div><div class="sidebar-section-children"><a href="CurveSpec.html">CurveSpec</a></div><div class="sidebar-section-children"><a href="CustomShapeSpec.html">CustomShapeSpec</a></div><div class="sidebar-section-children"><a href="CylinderSpec.html">CylinderSpec</a></div><div class="sidebar-section-children"><a href="DashedBondSpec.html">DashedBondSpec</a></div><div class="sidebar-section-children"><a href="FogSpec.html">FogSpec</a></div><div class="sidebar-section-children"><a href="IsoSurfaceSpec.html">IsoSurfaceSpec</a></div><div class="sidebar-section-children"><a href="LabelSpec.html">LabelSpec</a></div><div class="sidebar-section-children"><a href="LineSpec.html">LineSpec</a></div><div class="sidebar-section-children"><a href="LineStyleSpec.html">LineStyleSpec</a></div><div class="sidebar-section-children"><a href="OutlineStyle.html">OutlineStyle</a></div><div class="sidebar-section-children"><a href="ParserOptionsSpec.html">ParserOptionsSpec</a></div><div class="sidebar-section-children"><a href="ShapeSpec.html">ShapeSpec</a></div><div class="sidebar-section-children"><a href="SphereSpec.html">SphereSpec</a></div><div class="sidebar-section-children"><a href="SphereStyleSpec.html">SphereStyleSpec</a></div><div class="sidebar-section-children"><a href="StickStyleSpec.html">StickStyleSpec</a></div><div class="sidebar-section-children"><a href="SurfaceStyleSpec.html">SurfaceStyleSpec</a></div><div class="sidebar-section-children"><a href="UnitCellStyleSpec.html">UnitCellStyleSpec</a></div><div class="sidebar-section-children"><a href="ViewStyle.html">ViewStyle</a></div><div class="sidebar-section-children"><a href="ViewerGridSpec.html">ViewerGridSpec</a></div><div class="sidebar-section-children"><a href="ViewerSpec.html">ViewerSpec</a></div><div class="sidebar-section-children"><a href="VolumetricRendererSpec.html">VolumetricRendererSpec</a></div><div class="sidebar-section-children"><a href="WithinSelectionSpec.html">WithinSelectionSpec</a></div><div class="sidebar-section-children"><a href="global.html#XYZ">XYZ</a></div></div><div class="sidebar-section-title with-arrow" data-isopen="false" id="jmKnIXRJjdjZ366ci7cdd"><div>Global</div><svg><use xlink:href="#down-icon"></use></svg></div><div class="sidebar-section-children-container"><div class="sidebar-section-children"><a href="global.html#BCIF">BCIF</a></div><div class="sidebar-section-children"><a href="global.html#CAP">CAP</a></div><div class="sidebar-section-children"><a href="global.html#CDJSON">CDJSON</a></div><div class="sidebar-section-children"><a href="global.html#CIF">CIF</a></div><div class="sidebar-section-children"><a href="global.html#CUBE">CUBE</a></div><div class="sidebar-section-children"><a href="global.html#ColorSpec">ColorSpec</a></div><div class="sidebar-section-children"><a href="global.html#ColorschemeSpec">ColorschemeSpec</a></div><div class="sidebar-section-children"><a href="global.html#GRO">GRO</a></div><div class="sidebar-section-children"><a href="global.html#GradientSpec">GradientSpec</a></div><div class="sidebar-section-children"><a href="global.html#MMTFparser">MMTFparser</a></div><div class="sidebar-section-children"><a href="global.html#MOL2">MOL2</a></div><div class="sidebar-section-children"><a href="global.html#OFFSETS">OFFSETS</a></div><div class="sidebar-section-children"><a href="global.html#PDB">PDB</a></div><div class="sidebar-section-children"><a href="global.html#PQR">PQR</a></div><div class="sidebar-section-children"><a href="global.html#PRMTOP">PRMTOP</a></div><div class="sidebar-section-children"><a href="global.html#SDF">SDF</a></div><div class="sidebar-section-children"><a href="global.html#SurfaceType">SurfaceType</a></div><div class="sidebar-section-children"><a href="global.html#VASP">VASP</a></div><div class="sidebar-section-children"><a href="global.html#XYZ">XYZ</a></div><div class="sidebar-section-children"><a href="global.html#assignPDBBonds">assignPDBBonds</a></div><div class="sidebar-section-children"><a href="global.html#builtinColorSchemes">builtinColorSchemes</a></div><div class="sidebar-section-children"><a href="global.html#builtinGradients">builtinGradients</a></div><div class="sidebar-section-children"><a href="global.html#conversionMatrix3">conversionMatrix3</a></div><div class="sidebar-section-children"><a href="global.html#createViewer">createViewer</a></div><div class="sidebar-section-children"><a href="global.html#createViewerGrid">createViewerGrid</a></div><div class="sidebar-section-children"><a href="global.html#decode">decode</a></div><div class="sidebar-section-children"><a href="global.html#dic">dic</a></div><div class="sidebar-section-children"><a href="global.html#download">download</a></div><div class="sidebar-section-children"><a href="global.html#elementColors">elementColors</a></div><div class="sidebar-section-children"><a href="global.html#get">get</a></div><div class="sidebar-section-children"><a href="global.html#getColorFromStyle">getColorFromStyle</a></div><div class="sidebar-section-children"><a href="global.html#getbin">getbin</a></div><div class="sidebar-section-children"><a href="global.html#parseV3000">parseV3000</a></div><div class="sidebar-section-children"><a href="global.html#setSyncSurface">setSyncSurface</a></div><div class="sidebar-section-children"><a href="global.html#ssColors">ssColors</a></div><div class="sidebar-section-children"><a href="global.html#syncSurface">syncSurface</a></div><div class="sidebar-section-children"><a href="global.html#viewers">viewers</a></div></div></div><div class="mobile-navbar-actions"><div class="navbar-right-item"><button class="icon-button search-button" aria-label="open-search"><svg><use xlink:href="#search-icon"></use></svg></button></div><div class="navbar-right-item"><button class="icon-button theme-toggle" aria-label="toggle-theme"><svg><use class="theme-svg-use" xlink:href="#dark-theme-icon"></use></svg></button></div><div class="navbar-right-item"><button class="icon-button font-size" aria-label="change-font-size"><svg><use xlink:href="#font-size-icon"></use></svg></button></div></div></div></div><script type="text/javascript" src="scripts/core.min.js"></script><script src="scripts/search.min.js" defer="defer"></script><script src="scripts/third-party/fuse.js" defer="defer"></script><script type="text/javascript">var tocbotInstance=tocbot.init({tocSelector:"#eed4d2a0bfd64539bb9df78095dec881",contentSelector:".main-content",headingSelector:"h1, h2, h3",hasInnerContainers:!0,scrollContainer:".main-content",headingsOffset:130,onClick:bringLinkToView})</script></body></html>