Sketcher

Defined in: src/chem.ts:137

Molecule sketcher that supports multiple dynamically initialized implementations.

Extends

• Widget

Constructors

Constructor

new Sketcher(mode?, validationFunc?): Sketcher

Defined in: src/chem.ts:341

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:172
_autoResized	public	boolean	true	-	-	src/chem.ts:169
_functions	protected	Func[]	[]	-	Widget._functions	src/widgets/base.ts:243
_highlight	public	boolean	true	-	-	src/chem.ts:173
_isSubstructureFilter	public	boolean	false	-	-	src/chem.ts:171
_mode	public	SKETCHER_MODE	SKETCHER_MODE.INPLACE	-	-	src/chem.ts:154
_molfile	public	string | null	null	-	-	src/chem.ts:156
_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:168
_smarts	public	string | null	null	-	-	src/chem.ts:157
_smiles	public	string | null	null	-	-	src/chem.ts:155
_validationFunc	public	(molecule) => string | null	undefined	-	-	src/chem.ts:170
alighInput	public	InputBase	undefined	-	-	src/chem.ts:176
changedSub	public	Subscription | null	null	-	-	src/chem.ts:142
clearSketcherButton	public	HTMLButtonElement	undefined	-	-	src/chem.ts:165
dart	public	any	undefined	-	Widget.dart	src/widgets/base.ts:246
emptySketcherLink	public	HTMLDivElement	undefined	-	-	src/chem.ts:166
error	public	string | null	null	-	-	src/chem.ts:174
errorDiv	public	HTMLDivElement	undefined	-	-	src/chem.ts:175
extSketcherCanvas	public	HTMLCanvasElement	undefined	-	-	src/chem.ts:162
extSketcherDiv	public	HTMLDivElement	undefined	-	-	src/chem.ts:161
factory	public	Func | null	null	Constructor function. No parameters, returns [Widget].	Widget.factory	src/widgets/base.ts:239
filterOptionsDiv	public	HTMLDivElement	undefined	-	-	src/chem.ts:163
highlightInput	public	InputBase	undefined	-	-	src/chem.ts:177
host	public	HTMLDivElement	undefined	-	-	src/chem.ts:141
inplaceSketcherDiv	public	HTMLDivElement | null	null	-	-	src/chem.ts:164
invalidMoleculeWarning	public	HTMLDivElement	undefined	-	-	src/chem.ts:140
isDetached	public	boolean	false	-	Widget.isDetached	src/widgets/base.ts:247
listeners	public	Function[]	[]	-	-	src/chem.ts:153
loader	public	HTMLDivElement	undefined	-	-	src/chem.ts:160
molFileUnits	public	Notation	Notation.MolBlock	-	-	src/chem.ts:158
molInput	public	HTMLInputElement	undefined	-	-	src/chem.ts:139
onAlignedChanged	public	Subject<boolean>	undefined	-	-	src/chem.ts:145
onChanged	public	Subject<any>	undefined	-	-	src/chem.ts:144
onHighlightChanged	public	Subject<boolean>	undefined	-	-	src/chem.ts:146
props	public	any	undefined	-	Widget.props	src/widgets/base.ts:244
resized	public	boolean	false	-	-	src/chem.ts:167
sketcher	public	SketcherBase | null	null	-	-	src/chem.ts:143
sketcherDialogOpened	public	boolean	false	-	-	src/chem.ts:148
sketcherFunctions	public	Func[]	[]	-	-	src/chem.ts:147
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:151
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:645
RECENT_KEY	readonly	"chem-molecule-recent"	'chem-molecule-recent'	-	-	src/chem.ts:646

Accessors

align

Get Signature

get align(): boolean

Defined in: src/chem.ts:223

Returns

boolean

Set Signature

set align(value): void

Defined in: src/chem.ts:224

Parameters

Parameter	Type
value	boolean

Returns

void

---

autoResized

Get Signature

get autoResized(): boolean

Defined in: src/chem.ts:195

Returns

boolean

---

calculating

Get Signature

get calculating(): boolean

Defined in: src/chem.ts:203

Returns

boolean

Set Signature

set calculating(value): void

Defined in: src/chem.ts:204

Parameters

Parameter	Type
value	boolean

Returns

void

---

children

Get Signature

get children(): Widget<any>[]

Defined in: src/widgets/base.ts:320

Parent widget up the DOM tree, or null.

Returns

Widget<any>[]

Inherited from

Widget.children

---

filterOptions

Get Signature

get filterOptions(): HTMLElement

Defined in: src/chem.ts:227

Returns

HTMLElement

---

height

Get Signature

get height(): number

Defined in: src/chem.ts:187

Returns

number

---

highlight

Get Signature

get highlight(): boolean

Defined in: src/chem.ts:225

Returns

boolean

Set Signature

set highlight(value): void

Defined in: src/chem.ts:226

Parameters

Parameter	Type
value	boolean

Returns

void

---

isResizing

Get Signature

get isResizing(): boolean

Defined in: src/chem.ts:191

Returns

boolean

---

isSubstructureFilter

Get Signature

get isSubstructureFilter(): boolean

Defined in: src/chem.ts:214

Returns

boolean

Set Signature

set isSubstructureFilter(value): void

Defined in: src/chem.ts:215

Parameters

Parameter	Type
value	boolean

Returns

void

---

parent

Get Signature

get parent(): Widget<any> | null

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

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:324

Widget's visual root.

Returns

HTMLElement

Set Signature

set root(r): void

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

Parameters

Parameter	Type
r	HTMLElement

Returns

void

Inherited from

Widget.root

---

sketcherType

Set Signature

set sketcherType(type): void

Defined in: src/chem.ts:179

Parameters

Parameter	Type
type	string

Returns

void

---

sketcherTypeChanged

Get Signature

get sketcherTypeChanged(): boolean

Defined in: src/chem.ts:199

Returns

boolean

---

supportedExportFormats

Get Signature

get supportedExportFormats(): string[]

Defined in: src/chem.ts:282

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:183

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:365

Parameters

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

Returns

InputBase<boolean>

---

createClearSketcherButton()

createClearSketcherButton(canvas): HTMLButtonElement

Defined in: src/chem.ts:439

Parameters

Parameter	Type
canvas	HTMLCanvasElement

Returns

HTMLButtonElement

---

createExternalModeSketcher()

createExternalModeSketcher(): HTMLElement

Defined in: src/chem.ts:462

Returns

HTMLElement

---

createInplaceModeSketcher()

createInplaceModeSketcher(): HTMLElement

Defined in: src/chem.ts:505

Returns

HTMLElement

---

createMoleculeTooltip()

createMoleculeTooltip(currentMolfile): HTMLElement

Defined in: src/chem.ts:419

Parameters

Parameter	Type
currentMolfile	string

Returns

HTMLElement

---

createSketcher()

createSketcher(): void

Defined in: src/chem.ts:388

Returns

void

---

detach()

detach(): void

Defined in: src/chem.ts:675

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:681

Parameters

Parameter	Type
w	number
h	number
molecule	string

Returns

HTMLElement

---

getDartProperties()

getDartProperties(): any[]

Defined in: src/widgets/base.ts:305

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:244

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:267

Returns

Promise<string | null>

---

getSmiles()

getSmiles(): string

Defined in: src/chem.ts:229

Returns

string

---

getWidgetStatus()

getWidgetStatus(): IWidgetStatus

Defined in: src/widgets/base.ts:371

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:286

Returns

boolean

---

isInPopupContainer()

isInPopupContainer(): boolean

Defined in: src/chem.ts:376

Returns

boolean

---

onEvent()

onEvent(eventId?): Observable<any>

Defined in: src/widgets/base.ts:368

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:311

Parameters

Parameter	Type
dataFrame	DataFrame

Returns

void

Inherited from

Widget.onFrameAttached

---

onPropertyChanged()

onPropertyChanged(property): void

Defined in: src/widgets/base.ts:303

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:381

Returns

void

---

setChangeListenerCallback()

setChangeListenerCallback(callback): void

Defined in: src/chem.ts:302

Parameters

Parameter	Type
callback	() => void

Returns

void

---

setExternalModeForSubstrFilter()

setExternalModeForSubstrFilter(): void

Defined in: src/chem.ts:371

In case sketcher is opened in filter panel use EXTERNAL mode

Returns

void

---

setMolecule()

setMolecule(molString, substructure?): void

Defined in: src/chem.ts:292

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:256

Parameters

Parameter	Type
x	string

Returns

void

---

setSmarts()

setSmarts(x): void

Defined in: src/chem.ts:273

Parameters

Parameter	Type
x	string

Returns

void

---

setSmiles()

setSmiles(x): void

Defined in: src/chem.ts:235

Parameters

Parameter	Type
x	string

Returns

void

---

setValue()

setValue(x): void

Defined in: src/chem.ts:310

Sets SMILES, MOLBLOCK, or any other molecule representation

Parameters

Parameter	Type
x	string

Returns

void

---

sourceRowsChanged()

sourceRowsChanged(): void

Defined in: src/widgets/base.ts:309

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:397

Returns

void

---

updateInvalidMoleculeWarning()

updateInvalidMoleculeWarning(): void

Defined in: src/chem.ts:455

Returns

void

---

validate()

validate(x): void

Defined in: src/chem.ts:334

Parameters

Parameter	Type
x	string

Returns

void

---

addToCollection()

static addToCollection(key, molecule): void

Defined in: src/chem.ts:652

Parameters

Parameter	Type
key	string
molecule	string

Returns

void

---

checkDuplicatesAndAddToStorage()

static checkDuplicatesAndAddToStorage(storage, molecule, localStorageKey): void

Defined in: src/chem.ts:657

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:374

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:648

Parameters

Parameter	Type
key	string

Returns

string[]

---

isEmptyMolfile()

static isEmptyMolfile(molFile): boolean

Defined in: src/chem.ts:667

Parameters

Parameter	Type
molFile	string

Returns

boolean