Class MoleculeViewer

constructor

• new MoleculeViewer(element, propertiesName): MoleculeViewer

• Create a new MoleculeViewer inside the HTML DOM element with the given id.

  Parameters

  • element: string | HTMLElement

    HTML element or HTML id of the DOM element where the viewer will be created
  • propertiesName: string[]

    list of properties keys to be used as options

  Returns MoleculeViewer

_options

onselect

positionSettingsModal

environments

• set environments(value): void

• Parameters

  • value: undefined | (undefined | Environment)[]

    list of atom-centered environments for the current structure

  Returns void

_setHoverable

• _setHoverable(active): void

• Parameters

  • active: number[]

  Returns void

applySettings

• applySettings(settings): void

• Applies saved settings, possibly filling in with default values

  Parameters

  • settings: Settings

  Returns void

exportPNG

• exportPNG(): string

• Returns a PNG screenshot of the viewer as a URI string

  Returns string

highlight

• highlight(center?): void

• Highlight a given atom in the current structure.

  If a supercell larger than [1, 1, 1] is currently displayed, this function accept indexes larger than the result of natoms(), and will then highlight atoms outside of the central image.

  Parameters

  • Optionalcenter: number

    index of the central atom in the environment to show, or undefined to disable highlighting.

  Returns void

load

• load(structure, properties?, options?, onLoadingDone?): void

• Load the given structure in this viewer.

  Parameters

  • structure: Structure

    structure to load
  • Optionalproperties: Record<string, (undefined | number)[]>

    properties to used to load the structure
  • options: Partial<LoadOptions> = {}

    options for the new structure
  • OptionalonLoadingDone: (() => void)

    fired when viewer finished rendering

    • • (): void

      • Returns void

  Returns void

natoms

• natoms(): undefined | number

• Get the number of atoms in the structure, or undefined if no structure is currently loaded

  Returns undefined | number

  the number of atoms in the currently loaded structure

onSettingChange

• onSettingChange(callback): void

• Add the given callback to be called whenever a setting changes. The callback will be given the path to the settings as a list of keys; and the new value of the setting.

  There is currently no way to remove a callback.

  Parameters

  • callback: ((keys: string[], value: unknown) => void)
    • • (keys, value): void

      • Parameters

        • keys: string[]
        • value: unknown

        Returns void

  Returns void

refreshOptions

• refreshOptions(envView, propertiesName?): void

• Recreates structure options

  Parameters

  • envView: boolean

    display target, true if per environments
  • OptionalpropertiesName: string[]

    property names used as the options in the modal

  Returns void

remove

• remove(): void

• Remove all HTML added by this MoleculeViewer in the current document

  Returns void

resize

• resize(): void

• Resize the 3Dmol viewer/canvas to the size of the HTML element containing this widget.

  Returns void

saveSettings

• saveSettings(): Settings

• Save the values of the current settings in a way that an be used with applySettings or saved to JSON.

  Returns Settings