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Class: Sketcher

dg.chem.Sketcher

Molecule sketcher that supports multiple dynamically initialized implementations.

Hierarchy​

Constructors​

constructor​

• new Sketcher(mode?, validationFunc?)

Parameters​

NameType
mode?SKETCHER_MODE
validationFunc?(s: string) => null | string

Overrides​

Widget.constructor

Defined in​

src/chem.ts:333

Properties​

_align​

• _align: boolean = true

Defined in​

src/chem.ts:164

_autoResized​

• _autoResized: boolean = true

Defined in​

src/chem.ts:161

_highlight​

• _highlight: boolean = true

Defined in​

src/chem.ts:165

_isSubstructureFilter​

• _isSubstructureFilter: boolean = false

Defined in​

src/chem.ts:163

_mode​

• _mode: SKETCHER_MODE = SKETCHER_MODE.INPLACE

Defined in​

src/chem.ts:146

_molfile​

• _molfile: null | string = null

Defined in​

src/chem.ts:148

_properties​

• Protected _properties: Property[]

Inherited from​

Widget._properties

Defined in​

src/widgets.ts:178

_root​

• Protected _root: HTMLElement

Inherited from​

Widget._root

Defined in​

src/widgets.ts:177

_sketcherTypeChanged​

• _sketcherTypeChanged: boolean = false

Defined in​

src/chem.ts:160

_smarts​

• _smarts: null | string = null

Defined in​

src/chem.ts:149

_smiles​

• _smiles: null | string = null

Defined in​

src/chem.ts:147

_validationFunc​

• _validationFunc: (molecule: string) => null | string

Type declaration​

▸ (molecule): null | string

Parameters​
NameType
moleculestring
Returns​

null | string

Defined in​

src/chem.ts:162

alighInput​

• alighInput: InputBase<any>

Defined in​

src/chem.ts:168

changedSub​

• changedSub: null | Subscription = null

Defined in​

src/chem.ts:134

clearSketcherButton​

• clearSketcherButton: HTMLButtonElement

Defined in​

src/chem.ts:157

dart​

• dart: any

Inherited from​

Widget.dart

Defined in​

src/widgets.ts:181

• emptySketcherLink: HTMLDivElement

Defined in​

src/chem.ts:158

error​

• error: null | string = null

Defined in​

src/chem.ts:166

errorDiv​

• errorDiv: HTMLDivElement

Defined in​

src/chem.ts:167

extSketcherCanvas​

• extSketcherCanvas: HTMLCanvasElement

Defined in​

src/chem.ts:154

extSketcherDiv​

• extSketcherDiv: HTMLDivElement

Defined in​

src/chem.ts:153

factory​

• factory: null | Func = null

Constructor function. No parameters, returns [Widget].

Inherited from​

Widget.factory

Defined in​

src/widgets.ts:175

filterOptionsDiv​

• filterOptionsDiv: HTMLDivElement

Defined in​

src/chem.ts:155

highlightInput​

• highlightInput: InputBase<any>

Defined in​

src/chem.ts:169

host​

• host: HTMLDivElement

Defined in​

src/chem.ts:133

inplaceSketcherDiv​

• inplaceSketcherDiv: null | HTMLDivElement = null

Defined in​

src/chem.ts:156

invalidMoleculeWarning​

• invalidMoleculeWarning: HTMLDivElement

Defined in​

src/chem.ts:132

isDetached​

• isDetached: boolean = false

Inherited from​

Widget.isDetached

Defined in​

src/widgets.ts:182

listeners​

• listeners: Function[] = []

Defined in​

src/chem.ts:145

loader​

• loader: HTMLDivElement

Defined in​

src/chem.ts:152

molFileUnits​

• molFileUnits: Notation = Notation.MolBlock

Defined in​

src/chem.ts:150

molInput​

• molInput: HTMLInputElement

Defined in​

src/chem.ts:131

onAlignedChanged​

• onAlignedChanged: Subject<boolean>

Defined in​

src/chem.ts:137

onChanged​

• onChanged: Subject<any>

Defined in​

src/chem.ts:136

onHighlightChanged​

• onHighlightChanged: Subject<boolean>

Defined in​

src/chem.ts:138

props​

• props: any

Inherited from​

Widget.props

Defined in​

src/widgets.ts:179

resized​

• resized: boolean = false

Defined in​

src/chem.ts:159

sketcher​

• sketcher: null | SketcherBase = null

Defined in​

src/chem.ts:135

sketcherDialogOpened​

• sketcherDialogOpened: boolean = false

Defined in​

src/chem.ts:140

sketcherFunctions​

• sketcherFunctions: Func[] = []

Defined in​

src/chem.ts:139

subs​

• subs: Subscription[]

Inherited from​

Widget.subs

Defined in​

src/widgets.ts:180

syncCurrentObject​

• syncCurrentObject: boolean = true

Whether the currently drawn molecule becomes the current object as you sketch it

Defined in​

src/chem.ts:143

temp​

• temp: any

Contains auxiliary information

Inherited from​

Widget.temp

Defined in​

src/widgets.ts:172

FAVORITES_KEY​

▪ Static Readonly FAVORITES_KEY: "chem-molecule-favorites"

Defined in​

src/chem.ts:619

RECENT_KEY​

▪ Static Readonly RECENT_KEY: "chem-molecule-recent"

Defined in​

src/chem.ts:620

Accessors​

align​

• get align(): boolean

Returns​

boolean

Defined in​

src/chem.ts:215

• set align(value): void

Parameters​

NameType
valueboolean

Returns​

void

Defined in​

src/chem.ts:216

autoResized​

• get autoResized(): boolean

Returns​

boolean

Defined in​

src/chem.ts:187

calculating​

• get calculating(): boolean

Returns​

boolean

Defined in​

src/chem.ts:195

• set calculating(value): void

Parameters​

NameType
valueboolean

Returns​

void

Defined in​

src/chem.ts:196

filterOptions​

• get filterOptions(): HTMLElement

Returns​

HTMLElement

Defined in​

src/chem.ts:219

height​

• get height(): number

Returns​

number

Defined in​

src/chem.ts:179

highlight​

• get highlight(): boolean

Returns​

boolean

Defined in​

src/chem.ts:217

• set highlight(value): void

Parameters​

NameType
valueboolean

Returns​

void

Defined in​

src/chem.ts:218

isResizing​

• get isResizing(): boolean

Returns​

boolean

Defined in​

src/chem.ts:183

isSubstructureFilter​

• get isSubstructureFilter(): boolean

Returns​

boolean

Defined in​

src/chem.ts:206

• set isSubstructureFilter(value): void

Parameters​

NameType
valueboolean

Returns​

void

Defined in​

src/chem.ts:207

root​

• get root(): HTMLElement

Widget's visual root.

Returns​

HTMLElement

Inherited from​

Widget.root

Defined in​

src/widgets.ts:259

• set root(r): void

Parameters​

NameType
rHTMLElement

Returns​

void

Inherited from​

Widget.root

Defined in​

src/widgets.ts:260

sketcherType​

• set sketcherType(type): void

Parameters​

NameType
typestring

Returns​

void

Defined in​

src/chem.ts:171

sketcherTypeChanged​

• get sketcherTypeChanged(): boolean

Returns​

boolean

Defined in​

src/chem.ts:191

supportedExportFormats​

• get supportedExportFormats(): string[]

Returns​

string[]

Defined in​

src/chem.ts:274

type​

• get type(): string

Returns​

string

Inherited from​

Widget.type

Defined in​

src/widgets.ts:169

width​

• get width(): number

Returns​

number

Defined in​

src/chem.ts:175

Methods​

_setSketcherSize​

▸ Private _setSketcherSize(): void

Returns​

void

Defined in​

src/chem.ts:614

_setSketcherType​

▸ Private _setSketcherType(sketcherType): void

Parameters​

NameType
sketcherTypestring

Returns​

void

Defined in​

src/chem.ts:576

addProperty​

▸ Private addProperty(propertyName, propertyType, defaultValue?, options?): any

Registers an property with the specified type, name, and defaultValue. Registered property gets added to {@see properties}. Returns default value, thus allowing to combine registering a property with the initialization

Parameters​

NameTypeDefault value
propertyNamestringundefined
propertyType"string" | "bigint" | "object" | "map" | "file" | "view" | "element" | "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" | "TableView" | "User" | "Menu" | "Project" | "event_data" | "progressindicator" | "Credentials" | "ScriptEnvironment" | "Notebook"undefined
defaultValueanynull
optionsnull | { [key: string]: any; } & PropertyOptionsnull

Returns​

any

Inherited from​

Widget.addProperty

Defined in​

src/widgets.ts:280

apply​

▸ apply(properties): Widget<any>

Parameters​

NameType
propertiesobject

Returns​

Widget<any>

Inherited from​

Widget.apply

Defined in​

src/widgets.ts:230

createAlignHighlightInputs​

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

Parameters​

NameType
keystring
inputNamestring
callback() => void

Returns​

InputBase<null | boolean>

Defined in​

src/chem.ts:357

createClearSketcherButton​

▸ createClearSketcherButton(canvas): HTMLButtonElement

Parameters​

NameType
canvasHTMLCanvasElement

Returns​

HTMLButtonElement

Defined in​

src/chem.ts:429

createExternalModeSketcher​

▸ createExternalModeSketcher(): HTMLElement

Returns​

HTMLElement

Defined in​

src/chem.ts:452

createInplaceModeSketcher​

▸ createInplaceModeSketcher(): HTMLElement

Returns​

HTMLElement

Defined in​

src/chem.ts:495

createMoleculeTooltip​

▸ createMoleculeTooltip(currentMolfile): HTMLElement

Parameters​

NameType
currentMolfilestring

Returns​

HTMLElement

Defined in​

src/chem.ts:409

createSketcher​

▸ createSketcher(): void

Returns​

void

Defined in​

src/chem.ts:378

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

Defined in​

src/chem.ts:649

drawToCanvas​

▸ drawToCanvas(w, h, molecule): HTMLElement

Parameters​

NameType
wnumber
hnumber
moleculestring

Returns​

HTMLElement

Defined in​

src/chem.ts:655

getDartProperties​

▸ getDartProperties(): any[]

Returns​

any[]

Inherited from​

Widget.getDartProperties

Defined in​

src/widgets.ts:246

getMolFile​

▸ getMolFile(): string

Returns​

string

Defined in​

src/chem.ts:236

getProperties​

▸ getProperties(): Property[]

Returns​

Property[]

Inherited from​

Widget.getProperties

Defined in​

src/widgets.ts:240

getSmarts​

▸ getSmarts(): Promise<null | string>

Returns​

Promise<null | string>

Defined in​

src/chem.ts:259

getSmiles​

▸ getSmiles(): string

Returns​

string

Defined in​

src/chem.ts:221

isEmpty​

▸ isEmpty(): boolean

Returns​

boolean

Defined in​

src/chem.ts:278

onFrameAttached​

▸ onFrameAttached(dataFrame): void

Parameters​

NameType
dataFrameDataFrame

Returns​

void

Inherited from​

Widget.onFrameAttached

Defined in​

src/widgets.ts:252

onPropertyChanged​

▸ onPropertyChanged(property): void

Gets called when viewer's property is changed.

Parameters​

NameTypeDescription
propertynull | Propertyor null, if multiple properties were changed.

Returns​

void

Inherited from​

Widget.onPropertyChanged

Defined in​

src/widgets.ts:244

resize​

▸ resize(): void

Returns​

void

Defined in​

src/chem.ts:371

setChangeListenerCallback​

▸ setChangeListenerCallback(callback): void

Parameters​

NameType
callback() => void

Returns​

void

Defined in​

src/chem.ts:294

setExternalModeForSubstrFilter​

▸ setExternalModeForSubstrFilter(): void

In case sketcher is opened in filter panel use EXTERNAL mode

Returns​

void

Defined in​

src/chem.ts:366

setMolFile​

▸ setMolFile(x): void

Parameters​

NameType
xstring

Returns​

void

Defined in​

src/chem.ts:248

setMolecule​

▸ setMolecule(molString, substructure?): void

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

Parameters​

NameTypeDefault value
molStringstringundefined
substructurebooleanfalse

Returns​

void

Defined in​

src/chem.ts:284

setSmarts​

▸ setSmarts(x): void

Parameters​

NameType
xstring

Returns​

void

Defined in​

src/chem.ts:265

setSmiles​

▸ setSmiles(x): void

Parameters​

NameType
xstring

Returns​

void

Defined in​

src/chem.ts:227

setValue​

▸ setValue(x): void

Sets SMILES, MOLBLOCK, or any other molecule representation

Parameters​

NameType
xstring

Returns​

void

Defined in​

src/chem.ts:302

sourceRowsChanged​

▸ sourceRowsChanged(): void

Returns​

void

Inherited from​

Widget.sourceRowsChanged

Defined in​

src/widgets.ts:250

sub​

▸ sub(subscription): void

Registers a subscription to an external event.

Parameters​

NameType
subscriptionSubscription

Returns​

void

Inherited from​

Widget.sub

Defined in​

src/widgets.ts:223

toDart​

▸ toDart(): any

Returns​

any

Inherited from​

Widget.toDart

Defined in​

src/widgets.ts:215

updateExtSketcherContent​

▸ updateExtSketcherContent(): void

Returns​

void

Defined in​

src/chem.ts:387

updateInvalidMoleculeWarning​

▸ updateInvalidMoleculeWarning(): void

Returns​

void

Defined in​

src/chem.ts:445

validate​

▸ validate(x): void

Parameters​

NameType
xstring

Returns​

void

Defined in​

src/chem.ts:326

addToCollection​

▸ Static addToCollection(key, molecule): void

Parameters​

NameType
keystring
moleculestring

Returns​

void

Defined in​

src/chem.ts:626

checkDuplicatesAndAddToStorage​

▸ Static checkDuplicatesAndAddToStorage(storage, molecule, localStorageKey): void

Parameters​

NameType
storagestring[]
moleculestring
localStorageKeystring

Returns​

void

Defined in​

src/chem.ts:631

find​

▸ Static find(root): null | Widget<any>

Finds existing widget from its visual root.

Parameters​

NameType
rootElement

Returns​

null | Widget<any>

Inherited from​

Widget.find

Defined in​

src/widgets.ts:211

fromRoot​

▸ Static fromRoot(root): Widget<any>

Creates a new widget from the root element.

Parameters​

NameType
rootHTMLElement

Returns​

Widget<any>

Inherited from​

Widget.fromRoot

Defined in​

src/widgets.ts:303

getAll​

▸ Static getAll(): Widget<any>[]

Returns all currently active widgets.

Returns​

Widget<any>[]

Inherited from​

Widget.getAll

Defined in​

src/widgets.ts:206

getCollection​

▸ Static getCollection(key): string[]

Parameters​

NameType
keystring

Returns​

string[]

Defined in​

src/chem.ts:622

isEmptyMolfile​

▸ Static isEmptyMolfile(molFile): boolean

Parameters​

NameType
molFilestring

Returns​

boolean

Defined in​

src/chem.ts:641