Sketcher

Defined in: src/chem.ts:138

Molecule sketcher that supports multiple dynamically initialized implementations.

Extends

• Widget

Constructors

Constructor

new Sketcher(mode?, validationFunc?): Sketcher

Defined in: src/chem.ts:347

Parameters

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

Returns

Sketcher

Overrides

Widget.constructor

Properties

Property	Modifier	Type	Default value	Description	Inherited from	Defined in
_align	public	boolean	true	-	-	src/chem.ts:173
_autoResized	public	boolean	true	-	-	src/chem.ts:170
_functions	protected	Func[]	[]	-	Widget._functions	src/widgets/base.ts:243
_highlight	public	boolean	true	-	-	src/chem.ts:174
_isSubstructureFilter	public	boolean	false	-	-	src/chem.ts:172
_mode	public	SKETCHER_MODE	SKETCHER_MODE.INPLACE	-	-	src/chem.ts:155
_molfile	public	string | null	null	-	-	src/chem.ts:157
_properties	protected	Property[]	[]	-	Widget._properties	src/widgets/base.ts:242
_root	protected	HTMLElement	undefined	-	Widget._root	src/widgets/base.ts:241
_sketcherTypeChanged	public	boolean	false	-	-	src/chem.ts:169
_smarts	public	string | null	null	-	-	src/chem.ts:158
_smiles	public	string | null	null	-	-	src/chem.ts:156
_validationFunc	public	(molecule) => string | null	undefined	-	-	src/chem.ts:171
alighInput	public	InputBase	undefined	-	-	src/chem.ts:177
changedSub	public	Subscription | null	null	-	-	src/chem.ts:143
clearSketcherButton	public	HTMLButtonElement	undefined	-	-	src/chem.ts:166
dart	public	any	undefined	-	Widget.dart	src/widgets/base.ts:246
emptySketcherLink	public	HTMLDivElement	undefined	-	-	src/chem.ts:167
error	public	string | null	null	-	-	src/chem.ts:175
errorDiv	public	HTMLDivElement	undefined	-	-	src/chem.ts:176
extSketcherCanvas	public	HTMLCanvasElement	undefined	-	-	src/chem.ts:163
extSketcherDiv	public	HTMLDivElement	undefined	-	-	src/chem.ts:162
factory	public	Func | null	null	Constructor function. No parameters, returns [Widget].	Widget.factory	src/widgets/base.ts:239
filterOnChangeInput	public	InputBase	undefined	-	-	src/chem.ts:179
filterOptionsDiv	public	HTMLDivElement	undefined	-	-	src/chem.ts:164
highlightInput	public	InputBase	undefined	-	-	src/chem.ts:178
host	public	HTMLDivElement	undefined	-	-	src/chem.ts:142
inplaceSketcherDiv	public	HTMLDivElement | null	null	-	-	src/chem.ts:165
invalidMoleculeWarning	public	HTMLDivElement	undefined	-	-	src/chem.ts:141
isDetached	public	boolean	false	-	Widget.isDetached	src/widgets/base.ts:247
listeners	public	Function[]	[]	-	-	src/chem.ts:154
loader	public	HTMLDivElement	undefined	-	-	src/chem.ts:161
molFileUnits	public	Notation	Notation.MolBlock	-	-	src/chem.ts:159
molInput	public	HTMLInputElement	undefined	-	-	src/chem.ts:140
onAlignedChanged	public	Subject<boolean>	undefined	-	-	src/chem.ts:146
onChanged	public	Subject<any>	undefined	-	-	src/chem.ts:145
onHighlightChanged	public	Subject<boolean>	undefined	-	-	src/chem.ts:147
props	public	any	undefined	-	Widget.props	src/widgets/base.ts:244
resized	public	boolean	false	-	-	src/chem.ts:168
sketcher	public	SketcherBase | null	null	-	-	src/chem.ts:144
sketcherDialogOpened	public	boolean	false	-	-	src/chem.ts:149
sketcherFunctions	public	Func[]	[]	-	-	src/chem.ts:148
subs	public	Subscription[]	undefined	-	Widget.subs	src/widgets/base.ts:245
syncCurrentObject	public	boolean	true	Whether the currently drawn molecule becomes the current object as you sketch it	-	src/chem.ts:152
temp	public	any	undefined	Contains auxiliary information	Widget.temp	src/widgets/base.ts:236
FAVORITES_KEY	readonly	"chem-molecule-favorites"	'chem-molecule-favorites'	-	-	src/chem.ts:674
RECENT_KEY	readonly	"chem-molecule-recent"	'chem-molecule-recent'	-	-	src/chem.ts:675

Accessors

aiDescription

Get Signature

get aiDescription(): string | null

Defined in: src/widgets/base.ts:306

A short AI-facing briefing: what this widget is, what its functions do, and how the assistant should approach it (e.g. which getFunctions entries to call first). Shown to the AI assistant as part of the workspace context.

Returns

string | null

Set Signature

set aiDescription(x): void

Defined in: src/widgets/base.ts:307

Parameters

Parameter	Type
x	string | null

Returns

void

Inherited from

Widget.aiDescription

---

align

Get Signature

get align(): boolean

Defined in: src/chem.ts:225

Returns

boolean

Set Signature

set align(value): void

Defined in: src/chem.ts:226

Parameters

Parameter	Type
value	boolean

Returns

void

---

autoResized

Get Signature

get autoResized(): boolean

Defined in: src/chem.ts:197

Returns

boolean

---

calculating

Get Signature

get calculating(): boolean

Defined in: src/chem.ts:205

Returns

boolean

Set Signature

set calculating(value): void

Defined in: src/chem.ts:206

Parameters

Parameter	Type
value	boolean

Returns

void

---

children

Get Signature

get children(): Widget<any>[]

Defined in: src/widgets/base.ts:328

Parent widget up the DOM tree, or null.

Returns

Widget<any>[]

Inherited from

Widget.children

---

filterOnChange

Get Signature

get filterOnChange(): boolean

Defined in: src/chem.ts:229

Returns

boolean

Set Signature

set filterOnChange(value): void

Defined in: src/chem.ts:230

Parameters

Parameter	Type
value	boolean

Returns

void

---

filterOptions

Get Signature

get filterOptions(): HTMLElement

Defined in: src/chem.ts:231

Returns

HTMLElement

---

height

Get Signature

get height(): number

Defined in: src/chem.ts:189

Returns

number

---

highlight

Get Signature

get highlight(): boolean

Defined in: src/chem.ts:227

Returns

boolean

Set Signature

set highlight(value): void

Defined in: src/chem.ts:228

Parameters

Parameter	Type
value	boolean

Returns

void

---

isResizing

Get Signature

get isResizing(): boolean

Defined in: src/chem.ts:193

Returns

boolean

---

isSubstructureFilter

Get Signature

get isSubstructureFilter(): boolean

Defined in: src/chem.ts:216

Returns

boolean

Set Signature

set isSubstructureFilter(value): void

Defined in: src/chem.ts:217

Parameters

Parameter	Type
value	boolean

Returns

void

---

parent

Get Signature

get parent(): Widget<any> | null

Defined in: src/widgets/base.ts:325

Parent widget up the DOM tree, or null.

Returns

Widget<any> | null

Inherited from

Widget.parent

---

root

Get Signature

get root(): HTMLElement

Defined in: src/widgets/base.ts:332

Widget's visual root.

Returns

HTMLElement

Set Signature

set root(r): void

Defined in: src/widgets/base.ts:333

Parameters

Parameter	Type
r	HTMLElement

Returns

void

Inherited from

Widget.root

---

sketcherType

Set Signature

set sketcherType(type): void

Defined in: src/chem.ts:181

Parameters

Parameter	Type
type	string

Returns

void

---

sketcherTypeChanged

Get Signature

get sketcherTypeChanged(): boolean

Defined in: src/chem.ts:201

Returns

boolean

---

supportedExportFormats

Get Signature

get supportedExportFormats(): string[]

Defined in: src/chem.ts:286

Returns

string[]

---

type

Get Signature

get type(): string

Defined in: src/widgets/base.ts:233

Returns

string

Inherited from

Widget.type

---

width

Get Signature

get width(): number

Defined in: src/chem.ts:185

Returns

number

Methods

apply()

apply(properties): Widget

Defined in: src/widgets/base.ts:284

Parameters

Parameter	Type	Description
properties	object	-

Returns

Widget

Inherited from

Widget.apply

---

createAlignHighlightInputs()

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

Defined in: src/chem.ts:378

Parameters

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

Returns

InputBase<boolean>

---

createClearSketcherButton()

createClearSketcherButton(canvas): HTMLButtonElement

Defined in: src/chem.ts:474

Parameters

Parameter	Type
canvas	HTMLCanvasElement

Returns

HTMLButtonElement

---

createExternalModeSketcher()

createExternalModeSketcher(): HTMLElement

Defined in: src/chem.ts:497

Returns

HTMLElement

---

createInplaceModeSketcher()

createInplaceModeSketcher(): HTMLElement

Defined in: src/chem.ts:549

Returns

HTMLElement

---

createMoleculeTooltip()

createMoleculeTooltip(currentMolfile): HTMLElement

Defined in: src/chem.ts:454

Parameters

Parameter	Type
currentMolfile	string

Returns

HTMLElement

---

createSketcher()

createSketcher(): void

Defined in: src/chem.ts:423

Returns

void

---

detach()

detach(): void

Defined in: src/chem.ts:704

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

---

drawToCanvas()

drawToCanvas(w, h, molecule): HTMLElement

Defined in: src/chem.ts:710

Parameters

Parameter	Type
w	number
h	number
molecule	string

Returns

HTMLElement

---

getDartProperties()

getDartProperties(): any[]

Defined in: src/widgets/base.ts:313

Returns

any[]

Inherited from

Widget.getDartProperties

---

getFunctions()

getFunctions(): Func[]

Defined in: src/widgets/base.ts:299

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

---

getMolFile()

getMolFile(): string

Defined in: src/chem.ts:248

Returns

string

---

getProperties()

getProperties(): Property[]

Defined in: src/widgets/base.ts:295

Returns all properties of this widget.

Returns

Property[]

Inherited from

Widget.getProperties

---

getSmarts()

getSmarts(): Promise<string | null>

Defined in: src/chem.ts:271

Returns

Promise<string | null>

---

getSmiles()

getSmiles(): string

Defined in: src/chem.ts:233

Returns

string

---

getWidgetStatus()

getWidgetStatus(): IWidgetStatus

Defined in: src/widgets/base.ts:379

Returns the widget's runtime structure for automated testing and introspection.

Returns

IWidgetStatus

Inherited from

Widget.getWidgetStatus

---

isEmpty()

isEmpty(): boolean

Defined in: src/chem.ts:290

Returns

boolean

---

isInPopupContainer()

isInPopupContainer(): boolean

Defined in: src/chem.ts:411

Returns

boolean

---

onEvent()

onEvent(eventId?): Observable<any>

Defined in: src/widgets/base.ts:376

Observes events with the specified eventId. Override in subclasses to provide actual events.

Parameters

Parameter	Type	Default value
eventId	string | null	null

Returns

Observable<any>

Inherited from

Widget.onEvent

---

onFrameAttached()

onFrameAttached(dataFrame): void

Defined in: src/widgets/base.ts:319

Parameters

Parameter	Type
dataFrame	DataFrame

Returns

void

Inherited from

Widget.onFrameAttached

---

onPropertyChanged()

onPropertyChanged(property): void

Defined in: src/widgets/base.ts:311

Gets called when viewer's property is changed.

Parameters

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

Returns

void

Inherited from

Widget.onPropertyChanged

---

resize()

resize(): void

Defined in: src/chem.ts:416

Returns

void

---

setChangeListenerCallback()

setChangeListenerCallback(callback): void

Defined in: src/chem.ts:308

Parameters

Parameter	Type
callback	() => void

Returns

void

---

setExternalModeForSubstrFilter()

setExternalModeForSubstrFilter(): void

Defined in: src/chem.ts:406

In case sketcher is opened in filter panel use EXTERNAL mode

Returns

void

---

setMolecule()

setMolecule(molString, substructure?): void

Defined in: src/chem.ts:298

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

Parameters

Parameter	Type	Default value
molString	string	undefined
substructure	boolean	false

Returns

void

---

setMolFile()

setMolFile(x): void

Defined in: src/chem.ts:260

Parameters

Parameter	Type
x	string

Returns

void

---

setSmarts()

setSmarts(x): void

Defined in: src/chem.ts:277

Parameters

Parameter	Type
x	string

Returns

void

---

setSmiles()

setSmiles(x): void

Defined in: src/chem.ts:239

Parameters

Parameter	Type
x	string

Returns

void

---

setValue()

setValue(x): void

Defined in: src/chem.ts:316

Sets SMILES, MOLBLOCK, or any other molecule representation

Parameters

Parameter	Type
x	string

Returns

void

---

sourceRowsChanged()

sourceRowsChanged(): void

Defined in: src/widgets/base.ts:317

Returns

void

Inherited from

Widget.sourceRowsChanged

---

sub()

sub(subscription): void

Defined in: src/widgets/base.ts:277

Registers a subscription to an external event.

Parameters

Parameter	Type	Description
subscription	Subscription	-

Returns

void

Inherited from

Widget.sub

---

toDart()

toDart(): any

Defined in: src/widgets/base.ts:269

Returns

any

Inherited from

Widget.toDart

---

updateExtSketcherContent()

updateExtSketcherContent(): void

Defined in: src/chem.ts:432

Returns

void

---

updateInvalidMoleculeWarning()

updateInvalidMoleculeWarning(): void

Defined in: src/chem.ts:490

Returns

void

---

validate()

validate(x): void

Defined in: src/chem.ts:340

Parameters

Parameter	Type
x	string

Returns

void

---

addToCollection()

static addToCollection(key, molecule): void

Defined in: src/chem.ts:681

Parameters

Parameter	Type
key	string
molecule	string

Returns

void

---

checkDuplicatesAndAddToStorage()

static checkDuplicatesAndAddToStorage(storage, molecule, localStorageKey): void

Defined in: src/chem.ts:686

Parameters

Parameter	Type
storage	string[]
molecule	string
localStorageKey	string

Returns

void

---

find()

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

Defined in: src/widgets/base.ts:265

Finds existing widget from its visual root.

Parameters

Parameter	Type
root	Element

Returns

Widget<any> | null

Inherited from

Widget.find

---

fromRoot()

static fromRoot(root): Widget

Defined in: src/widgets/base.ts:382

Creates a new widget from the root element.

Parameters

Parameter	Type
root	HTMLElement

Returns

Widget

Inherited from

Widget.fromRoot

---

getAll()

static getAll(): Widget<any>[]

Defined in: src/widgets/base.ts:260

Returns all currently active widgets.

Returns

Widget<any>[]

Inherited from

Widget.getAll

---

getCollection()

static getCollection(key): string[]

Defined in: src/chem.ts:677

Parameters

Parameter	Type
key	string

Returns

string[]

---

isEmptyMolfile()

static isEmptyMolfile(molFile): boolean

Defined in: src/chem.ts:696

Parameters

Parameter	Type
molFile	string

Returns

boolean