@iktos/rdkitjs
Version:
RDKit-js implementation based on RDKit's original c++ source and emscripten
19 lines (18 loc) • 1.01 kB
TypeScript
import { Details, Mol } from '../../types';
export default abstract class MoleculeBase {
_mol: Mol;
constructor(mol: Mol);
delete(): void;
static getSvgFromSmiles(smiles: string, smarts?: string, details?: Details, width?: number, height?: number, offsetx?: number, offsety?: number): string;
static drawCanvasFromSmiles(canvas: HTMLCanvasElement, smiles: string, smarts?: string, details?: Details, width?: number, height?: number, offsetx?: number, offsety?: number): void;
toSmiles(): string;
toCXSmiles(): string;
toSmarts(): string;
toMdl(): string;
toV3Mdl(): string;
getSvg(qmol?: Mol, details?: Details, width?: number, height?: number, offsetx?: number, offsety?: number): string;
drawCanvas(canvas: HTMLCanvasElement, qmol?: Mol, details?: Details, width?: number, height?: number, offsetx?: number, offsety?: number): void;
getSubstructMatch(qmol: Mol): string;
getSubstructMatches(qmol: Mol): string;
isValid(): boolean;
}