Sketcher

Molecule sketcher that supports multiple dynamically initialized implementations.

Extends

• Widget

Constructors

new Sketcher()

new Sketcher(mode?, validationFunc?): Sketcher

Parameters

Parameter	Type
mode?	SKETCHER_MODE
validationFunc?	(s) => null | string

Returns

Sketcher

Overrides

Widget . constructor

Source

src/chem.ts:333

Properties

Property	Modifier	Type	Default value	Description	Inherited from
_align	public	boolean	true	-	-
_autoResized	public	boolean	true	-	-
_functions	protected	Func[]	[]	-	Widget._functions
_highlight	public	boolean	true	-	-
_isSubstructureFilter	public	boolean	false	-	-
_mode	public	SKETCHER_MODE	SKETCHER_MODE.INPLACE	-	-
_molfile	public	null | string	null	-	-
_properties	protected	Property[]	[]	-	Widget._properties
_root	protected	HTMLElement	undefined	-	Widget._root
_sketcherTypeChanged	public	boolean	false	-	-
_smarts	public	null | string	null	-	-
_smiles	public	null | string	null	-	-
_validationFunc	public	(molecule: string) => null | string	...	-	-
alighInput	public	InputBase<any>	undefined	-	-
changedSub	public	null | Subscription	null	-	-
clearSketcherButton	public	HTMLButtonElement	undefined	-	-
dart	public	any	undefined	-	Widget.dart
emptySketcherLink	public	HTMLDivElement	undefined	-	-
error	public	null | string	null	-	-
errorDiv	public	HTMLDivElement	...	-	-
extSketcherCanvas	public	HTMLCanvasElement	...	-	-
extSketcherDiv	public	HTMLDivElement	...	-	-
factory	public	null | Func	null	Constructor function. No parameters, returns [Widget].	Widget.factory
filterOptionsDiv	public	HTMLDivElement	...	-	-
highlightInput	public	InputBase<any>	undefined	-	-
host	public	HTMLDivElement	...	-	-
inplaceSketcherDiv	public	null | HTMLDivElement	null	-	-
invalidMoleculeWarning	public	HTMLDivElement	...	-	-
isDetached	public	boolean	false	-	Widget.isDetached
listeners	public	Function[]	[]	-	-
loader	public	HTMLDivElement	...	-	-
molFileUnits	public	Notation	Notation.MolBlock	-	-
molInput	public	HTMLInputElement	...	-	-
onAlignedChanged	public	Subject<boolean>	...	-	-
onChanged	public	Subject<any>	...	-	-
onHighlightChanged	public	Subject<boolean>	...	-	-
props	public	any	undefined	-	Widget.props
resized	public	boolean	false	-	-
sketcher	public	null | SketcherBase	null	-	-
sketcherDialogOpened	public	boolean	false	-	-
sketcherFunctions	public	Func[]	[]	-	-
subs	public	Subscription[]	undefined	-	Widget.subs
syncCurrentObject	public	boolean	true	Whether the currently drawn molecule becomes the current object as you sketch it	-
temp	public	any	undefined	Contains auxiliary information	Widget.temp
FAVORITES_KEY	readonly	"chem-molecule-favorites"	'chem-molecule-favorites'	-	-
RECENT_KEY	readonly	"chem-molecule-recent"	'chem-molecule-recent'	-	-

Accessors

align

get align(): boolean

set align(value): void

Parameters

Parameter	Type
value	boolean

Returns

boolean

Source

src/chem.ts:215

---

autoResized

get autoResized(): boolean

Returns

boolean

Source

src/chem.ts:187

---

calculating

get calculating(): boolean

set calculating(value): void

Parameters

Parameter	Type
value	boolean

Returns

boolean

Source

src/chem.ts:195

---

children

get children(): Widget<any>[]

Parent widget up the DOM tree, or null.

Returns

Widget<any>[]

Source

src/widgets.ts:293

---

filterOptions

get filterOptions(): HTMLElement

Returns

HTMLElement

Source

src/chem.ts:219

---

height

get height(): number

Returns

number

Source

src/chem.ts:179

---

highlight

get highlight(): boolean

set highlight(value): void

Parameters

Parameter	Type
value	boolean

Returns

boolean

Source

src/chem.ts:217

---

isResizing

get isResizing(): boolean

Returns

boolean

Source

src/chem.ts:183

---

isSubstructureFilter

get isSubstructureFilter(): boolean

set isSubstructureFilter(value): void

Parameters

Parameter	Type
value	boolean

Returns

boolean

Source

src/chem.ts:206

---

parent

get parent(): null | Widget<any>

Parent widget up the DOM tree, or null.

Returns

null | Widget<any>

Source

src/widgets.ts:290

---

root

get root(): HTMLElement

Widget's visual root.

set root(r): void

Parameters

Parameter	Type
r	HTMLElement

Returns

HTMLElement

Source

src/widgets.ts:297

---

sketcherType

set sketcherType(type): void

Parameters

Parameter	Type
type	string

Source

src/chem.ts:171

---

sketcherTypeChanged

get sketcherTypeChanged(): boolean

Returns

boolean

Source

src/chem.ts:191

---

supportedExportFormats

get supportedExportFormats(): string[]

Returns

string[]

Source

src/chem.ts:274

---

type

get type(): string

Returns

string

Source

src/widgets.ts:206

---

width

get width(): number

Returns

number

Source

src/chem.ts:175

Methods

_setSketcherSize()

private _setSketcherSize(): void

Returns

void

Source

src/chem.ts:632

---

_setSketcherType()

private _setSketcherType(sketcherType): void

Parameters

Parameter	Type
sketcherType	string

Returns

void

Source

src/chem.ts:592

---

addProperty()

private addProperty(propertyName, propertyType, defaultValue, options): any

Registers an property with the specified type, name, and defaultValue.

Parameters

Parameter	Type	Default value	Description
propertyName	string	undefined
propertyType	"string" | "bigint" | "object" | "map" | "file" | "view" | "blob" | "int" | "double" | "bool" | "byte_array" | "datetime" | "qnum" | "dataframe" | "num" | "string_list" | "dataframe_list" | "cell" | "column" | "column_list" | "graphics" | "tablerowfiltercall" | "colfiltercall" | "bitset" | "dynamic" | "viewer" | "list" | "semantic_value" | "func" | "funccall" | "property" | "categorical" | "numerical" | "GridCellRenderArgs" | "element" | "TableView" | "User" | "Menu" | "Project" | "event_data" | "progressindicator" | "Credentials" | "ScriptEnvironment" | "Notebook"	undefined
defaultValue	any	null
options	null | object & IProperty	null

Returns

any

Inherited from

Widget . addProperty

See

Registered property gets added to properties. Returns default value, thus allowing to combine registering a property with the initialization

Source

src/widgets.ts:318

---

apply()

apply(properties): Widget<any>

Parameters

Parameter	Type	Description
properties	object

Returns

Widget<any>

Inherited from

Widget . apply

Source

src/widgets.ts:257

---

createAlignHighlightInputs()

createAlignHighlightInputs(key, inputName, callback): InputBase<boolean>

Parameters

Parameter	Type
key	string
inputName	string
callback	() => void

Returns

InputBase<boolean>

Source

src/chem.ts:357

---

createClearSketcherButton()

createClearSketcherButton(canvas): HTMLButtonElement

Parameters

Parameter	Type
canvas	HTMLCanvasElement

Returns

HTMLButtonElement

Source

src/chem.ts:431

---

createExternalModeSketcher()

createExternalModeSketcher(): HTMLElement

Returns

HTMLElement

Source

src/chem.ts:454

---

createInplaceModeSketcher()

createInplaceModeSketcher(): HTMLElement

Returns

HTMLElement

Source

src/chem.ts:497

---

createMoleculeTooltip()

createMoleculeTooltip(currentMolfile): HTMLElement

Parameters

Parameter	Type
currentMolfile	string

Returns

HTMLElement

Source

src/chem.ts:411

---

createSketcher()

createSketcher(): void

Returns

void

Source

src/chem.ts:380

---

detach()

detach(): void

Gets called when a widget is detached and will no longer be used. Typically used for unsubscribing from events. Be sure to call super.detach() if this method is overridden.

Returns

void

Overrides

Widget . detach

Source

src/chem.ts:667

---

drawToCanvas()

drawToCanvas(w, h, molecule): HTMLElement

Parameters

Parameter	Type
w	number
h	number
molecule	string

Returns

HTMLElement

Source

src/chem.ts:673

---

getDartProperties()

getDartProperties(): any[]

Returns

any[]

Inherited from

Widget . getDartProperties

Source

src/widgets.ts:278

---

getFunctions()

getFunctions(): Func[]

Functions that are applicable to this particular widget. Used in the UI to display context actions, and for the AI integrations.

Returns

Func[]

Inherited from

Widget . getFunctions

Source

src/widgets.ts:272

---

getMolFile()

getMolFile(): string

Returns

string

Source

src/chem.ts:236

---

getProperties()

getProperties(): Property[]

Returns all properties of this widget.

Returns

Property[]

Inherited from

Widget . getProperties

Source

src/widgets.ts:268

---

getSmarts()

getSmarts(): Promise<null | string>

Returns

Promise<null | string>

Source

src/chem.ts:259

---

getSmiles()

getSmiles(): string

Returns

string

Source

src/chem.ts:221

---

isEmpty()

isEmpty(): boolean

Returns

boolean

Source

src/chem.ts:278

---

isInPopupContainer()

isInPopupContainer(): boolean

Returns

boolean

Source

src/chem.ts:368

---

onFrameAttached()

onFrameAttached(dataFrame): void

Parameters

Parameter	Type
dataFrame	DataFrame

Returns

void

Inherited from

Widget . onFrameAttached

Source

src/widgets.ts:284

---

onPropertyChanged()

onPropertyChanged(property): void

Gets called when viewer's property is changed.

Parameters

Parameter	Type	Description
property	null | Property	or null, if multiple properties were changed.

Returns

void

Inherited from

Widget . onPropertyChanged

Source

src/widgets.ts:276

---

resize()

resize(): void

Returns

void

Source

src/chem.ts:373

---

setChangeListenerCallback()

setChangeListenerCallback(callback): void

Parameters

Parameter	Type
callback	() => void

Returns

void

Source

src/chem.ts:294

---

setExternalModeForSubstrFilter()

setExternalModeForSubstrFilter(): void

In case sketcher is opened in filter panel use EXTERNAL mode

Returns

void

Source

src/chem.ts:363

---

setMolFile()

setMolFile(x): void

Parameters

Parameter	Type
x	string

Returns

void

Source

src/chem.ts:248

---

setMolecule()

setMolecule(molString, substructure): void

Sets the molecule, supports either SMILES, SMARTS or MOLBLOCK formats

Parameters

Parameter	Type	Default value
molString	string	undefined
substructure	boolean	false

Returns

void

Source

src/chem.ts:284

---

setSmarts()

setSmarts(x): void

Parameters

Parameter	Type
x	string

Returns

void

Source

src/chem.ts:265

---

setSmiles()

setSmiles(x): void

Parameters

Parameter	Type
x	string

Returns

void

Source

src/chem.ts:227

---

setValue()

setValue(x): void

Sets SMILES, MOLBLOCK, or any other molecule representation

Parameters

Parameter	Type
x	string

Returns

void

Source

src/chem.ts:302

---

sourceRowsChanged()

sourceRowsChanged(): void

Returns

void

Inherited from

Widget . sourceRowsChanged

Source

src/widgets.ts:282

---

sub()

sub(subscription): void

Registers a subscription to an external event.

Parameters

Parameter	Type	Description
subscription	Subscription

Returns

void

Inherited from

Widget . sub

Source

src/widgets.ts:250

---

toDart()

toDart(): any

Returns

any

Inherited from

Widget . toDart

Source

src/widgets.ts:242

---

updateExtSketcherContent()

updateExtSketcherContent(): void

Returns

void

Source

src/chem.ts:389

---

updateInvalidMoleculeWarning()

updateInvalidMoleculeWarning(): void

Returns

void

Source

src/chem.ts:447

---

validate()

validate(x): void

Parameters

Parameter	Type
x	string

Returns

void

Source

src/chem.ts:326

---

addToCollection()

static addToCollection(key, molecule): void

Parameters

Parameter	Type
key	string
molecule	string

Returns

void

Source

src/chem.ts:644

---

checkDuplicatesAndAddToStorage()

static checkDuplicatesAndAddToStorage(storage, molecule, localStorageKey): void

Parameters

Parameter	Type
storage	string[]
molecule	string
localStorageKey	string

Returns

void

Source

src/chem.ts:649

---

find()

static find(root): null | Widget<any>

Finds existing widget from its visual root.

Parameters

Parameter	Type
root	Element

Returns

null | Widget<any>

Inherited from

Widget . find

Source

src/widgets.ts:238

---

fromRoot()

static fromRoot(root): Widget<any>

Creates a new widget from the root element.

Parameters

Parameter	Type
root	HTMLElement

Returns

Widget<any>

Inherited from

Widget . fromRoot

Source

src/widgets.ts:341

---

getAll()

static getAll(): Widget<any>[]

Returns all currently active widgets.

Returns

Widget<any>[]

Inherited from

Widget . getAll

Source

src/widgets.ts:233

---

getCollection()

static getCollection(key): string[]

Parameters

Parameter	Type
key	string

Returns

string[]

Source

src/chem.ts:640

---

isEmptyMolfile()

static isEmptyMolfile(molFile): boolean

Parameters

Parameter	Type
molFile	string

Returns

boolean

Source

src/chem.ts:659