ketcher-core
Version:
Web-based molecule sketcher
81 lines (80 loc) • 3.83 kB
TypeScript
/// <reference types="node" />
import { Subscription } from 'subscription';
import { type FormatterFactory } from './formatters';
import type { GenerateImageOptions, StructService, CalculateData, CalculateResult } from "../domain/services";
import { type Editor } from './editor';
import { Indigo } from "./indigo";
import type { MolfileFormat } from "../domain/serializers/mol/mol.types";
import { Struct } from "../domain/entities/struct";
import { EventEmitter } from 'events';
import { type LogSettings } from "../utilities";
import { type ExportImageParams, type SupportedImageFormats, type SupportedModes, type UpdateMonomersLibraryParams } from "./ketcher.types";
declare type SetMoleculeOptions = {
position?: {
x: number;
y: number;
};
needZoom?: boolean;
};
export declare class Ketcher {
#private;
_id: string;
logging: LogSettings;
structService: StructService;
_indigo: Indigo;
changeEvent: Subscription;
libraryUpdateEvent: Subscription;
get editor(): Editor;
get eventBus(): EventEmitter;
constructor(structService: StructService, formatterFactory: FormatterFactory);
get id(): string;
get formatterFactory(): FormatterFactory;
get indigo(): Indigo;
get settings(): {};
addEditor(editor: Editor): void;
setSettings(settings: Record<string, string | boolean>): any;
getSmiles(isExtended?: boolean): Promise<string>;
getExtendedSmiles(): Promise<string>;
getMolfile(molfileFormat?: MolfileFormat): Promise<string>;
getIdt(): Promise<string>;
getAxoLabs(): Promise<string>;
getRxn(molfileFormat?: MolfileFormat): Promise<string>;
getKet(): Promise<string>;
getFasta(): Promise<string>;
getSequence(format?: '1-letter' | '3-letter'): Promise<string>;
getSmarts(): Promise<string>;
getCml(): Promise<string>;
getSdf(molfileFormat?: MolfileFormat): Promise<string>;
getRdf(molfileFormat?: MolfileFormat): Promise<string>;
getCDXml(): Promise<string>;
getCDX(): Promise<string>;
getInchi(withAuxInfo?: boolean): Promise<string>;
getInChIKey(): Promise<string>;
containsReaction(): boolean;
isQueryStructureSelected(): boolean;
setMolecule(structStr: string, options?: SetMoleculeOptions): Promise<void | undefined>;
setHelm(helmStr: string): Promise<void | undefined>;
addFragment(structStr: string, options?: SetMoleculeOptions): Promise<void | undefined>;
circularLayoutMonomers(): Promise<void>;
layout(): Promise<void>;
aromatize(): Promise<void>;
dearomatize(): Promise<void>;
calculate(options?: CalculateData): Promise<CalculateResult>;
/**
* @param {number} value - in a range [ZoomTool.instance.MINZOOMSCALE, ZoomTool.instance.MAXZOOMSCALE]
*/
setZoom(value: number): void;
setMode(mode: SupportedModes): void;
exportImage(format: SupportedImageFormats, params?: ExportImageParams): void;
recognize(image: Blob, version?: string): Promise<Struct>;
generateImage(data: string, options?: GenerateImageOptions): Promise<Blob>;
reinitializeIndigo(structService: StructService): void;
sendCustomAction(name: string): void;
ensureMonomersLibraryDataInKetFormat(rawMonomersData: string | JSON, params?: UpdateMonomersLibraryParams): Promise<string>;
ensureMonomersLibraryDataInSdfFormat(rawMonomersData: string | JSON, params?: UpdateMonomersLibraryParams): Promise<string>;
updateMonomersLibrary(rawMonomersData: string | JSON, params?: UpdateMonomersLibraryParams): Promise<void>;
replaceMonomersLibrary(rawMonomersData: string | JSON, params?: UpdateMonomersLibraryParams): Promise<void>;
switchToMacromoleculesMode(): void;
switchToMoleculesMode(): void;
}
export {};