Class: CrystVis

Constructor

new CrystVis(element, width, height, rendererOptions)

An object providing a full interface to a renderer for crystallographic models

Parameters:

Name	Type	Default	Description
`element`	string		CSS-style identifier for the HTML element to put the renderer in
`width`	int	0	Window width
`height`	int	0	Window height. If both this and width are set to 0, the window fits its context and automatically resizes with it
`rendererOptions`	Object		Options for the renderer

Source: visualizer.js, line 38

Members

displayed :ModelView

Displayed atoms

Type:

ModelView

Source: visualizer.js, line 149

highlightSelected :bool

Whether the selected atoms should be highlighted with auras

Type:

bool

Source: visualizer.js, line 182

(readonly) isDisposed :boolean

Whether this instance has been disposed. Once true, most methods will throw rather than silently fail.

Type:

boolean

Source: visualizer.js, line 114

(readonly) model :Model

Currently loaded model

Type:

Model

Source: visualizer.js, line 132

(readonly) modelList :Array

List of loaded models

Type:

Array

Source: visualizer.js, line 123

(readonly) modelName :String

Name of the currently loaded model

Type:

String

Source: visualizer.js, line 141

selected :ModelView

Selected atoms

Type:

ModelView

Source: visualizer.js, line 166

theme :object

Theme

Type:

object

Source: visualizer.js, line 205

Methods

addNotification()

Add a notification to the list of notifications to be displayed

Source: visualizer.js, line 744

addNotifications()

Adds all notifications to the drawing

Source: visualizer.js, line 753

addPrimitive(p)

Add a primitive shape to the drawing

Parameters:

Name	Type	Description
`p`	THREE.Object3D	Primitive to add

Source: visualizer.js, line 728

clearNotifications()

Removes notifications from the drawing

Source: visualizer.js, line 764

deleteModel(name)

Erase a model from the recorded ones

Parameters:

Name	Type	Description
`name`	String	Name of the model to delete

Source: visualizer.js, line 706

displayModel(name)

Render a model

Parameters:

Name	Type	Default	Description
`name`	String	null	Name of the model to display. If empty, just clear the renderer window.

Source: visualizer.js, line 651

dispose()

Release all resources held by this instance: cancels the animation loop, removes all canvas event listeners, disposes OrbitControls and the THREE.WebGLRenderer, and nulls internal references. After calling this method the instance must not be used again.

Source: visualizer.js, line 492

getCameraState() → {Object}

Return a plain serialisable snapshot of the current camera state.

Source: visualizer.js, line 302

Returns:

Type:: Object

getModelMeta(name) → {Object|null}

Return metadata stored alongside the named model: { prefix, originalName }.

Parameters:

Name	Type	Description
`name`	String	Model name

Source: visualizer.js, line 393

Returns:

Type:: Object | null

getModelParameters(name) → {Object|null}

Return the loading parameters that were used when the named model was last loaded / reloaded (a clone of the merged parameter object).

Parameters:

Name	Type	Description
`name`	String	Model name

Source: visualizer.js, line 381

Returns:

Type:: Object | null

getModelSource(name) → {Object|null}

Return the raw file text and format extension originally passed to loadModels() for the named model.

Parameters:

Name	Type	Description
`name`	String	Model name

Source: visualizer.js, line 369

Returns:

Type:: Object | null

getScreenshotData() → {String}

Recover a data URL of a PNG screenshot of the current scene

Source: visualizer.js, line 774

Returns:

A data URL of the PNG screenshot

Type:: String

loadModels(contents, format, prefix, parameters) → {Object}

Load one or more atomic models from a file's contents

Parameters:

Name	Type	Default	Description
`contents`	String		The contents of the structure file
`format`	String	cif	The file's format (cif, xyz, etc.). Default is cif.
`prefix`	String	null	Prefix to use when naming the models. Default is empty.
`parameters`	Object		Loading parameters: `supercell`: supercell size (only used if the structure is periodic) `molecularCrystal`: if true, try to make the model load completing molecules across periodic boundaries `useNMRActiveIsotopes`: if true, all isotopes are set by default to the most common one with non-zero spin `vdwScaling`: scale van der Waals radii by a constant factor `vdwElementScaling`: table of per-element factors to scale VdW radii by

Source: visualizer.js, line 557

Returns:

Status map of the models we tried to load. Keys are the model names (strings that can be passed directly to displayModel()). Values are 0 for a successful load, or an error message string if loading failed. Example: to display the first loaded model, use visualizer.displayModel(Object.keys(loaded)[0]) and check loaded[modelName] !== 0 to detect errors.

Type:: Object

onAtomBox(callback)

Set a callback function for an event where a user drags a box around multiple atoms. The function should take as arguments a ModelView including the atoms in the box:

function callback(view) { ... }

Parameters:

Name	Type	Default	Description
`callback`	function	null	Callback function for the event. Passing "null" restores default behaviour

Source: visualizer.js, line 277

onAtomClick(callback, modifiers)

Set a callback function for an event where a user clicks on an atom. The function should take as arguments the atom image for the clicked atom and the event object:

function callback(atom, event) { ... }

Parameters:

Name Type Default Description

callback

function

null

Callback function for the event. Passing "null" restores default behaviour

modifiers

int

Click event. Use the following flags to define it:

CrystVis.LEFT_CLICK
CrystVis.RIGHT_CLICK
CrystVis.MIDDLE_CLICK
CrystVis.CTRL_BUTTON
CrystVis.ALT_BUTTON
CrystVis.SHIFT_BUTTON
CrystVis.CMD_BUTTON

For example, CrystVis.LEFT_CLICK + CrystVis.SHIFT_BUTTON defines the event for a click while the Shift key is pressed.

Source: visualizer.js, line 247

onCameraChange(callback) → {function}

Subscribe to camera-change events (rotate, pan, zoom). The callback receives a snapshot identical to CrystVis#getCameraState.

Parameters:

Name	Type	Description
`callback`	function	`callback(cameraState)`

Source: visualizer.js, line 323

Returns:

Unsubscribe function

Type:: function

onDisplayChange(callback) → {function}

Subscribe to display-change events fired whenever displayModel() completes. The callback receives the name of the newly displayed model (or null when cleared).

Parameters:

Name	Type	Description
`callback`	function	`callback(modelName: string\|null)`

Source: visualizer.js, line 353

Returns:

Unsubscribe function

Type:: function

onModelListChange(callback) → {function}

Subscribe to model-list change events (model added or deleted). The callback receives the new list of model names.

Parameters:

Name	Type	Description
`callback`	function	`callback(modelNames: string[])`

Source: visualizer.js, line 339

Returns:

Unsubscribe function

Type:: function

reloadModel(name, parameters)

Reload a model, possibly with new parameters

Parameters:

Name	Type	Description
`name`	String	Name of the model to reload.
`parameters`	Object	Loading parameters as in .loadModels()

Source: visualizer.js, line 617

removePrimitive(p)

Remove a primitive shape from the drawing

Parameters:

Name	Type	Description
`p`	THREE.Object3D	Primitive to remove

Source: visualizer.js, line 737

setCameraState(state)

Restore a camera snapshot produced by CrystVis#getCameraState. Safe to call after displayModel().

Parameters:

Name	Type	Description
`state`

Source: visualizer.js, line 312

unloadAll()

Remove all loaded models and reset the view in a single atomic operation (only one render pass after everything is cleared, unlike calling deleteModel() in a loop).

Source: visualizer.js, line 405