import * as DG from 'datagrok-api/dg';
import { BiostructureData } from './types';
import { DockerContainerStatus } from '../utils/docker';
export declare enum AutoDockErrorLevel {
    Info = 0,
    Warning = 1,
    Error = 2
}
export declare class AutoDockError extends Error {
    readonly level: AutoDockErrorLevel;
    constructor(level: AutoDockErrorLevel, message: string);
}
export declare class AutoDock {
    static error(message: string): AutoDockError;
    static warning(message: string): AutoDockError;
    static info(message: string): AutoDockError;
}
/** Number of grid points. Each must be an event integer number.  */
export declare class GridSize {
    readonly x: number;
    readonly y: number;
    readonly z: number;
    constructor(x: number, y: number, z: number);
}
export type AutoDockRunResult = {
    posesDf: DG.DataFrame;
};
export interface IAutoDockService {
    get ready(): boolean;
    awaitStatus(targetStatus: DockerContainerStatus, timeout?: number): Promise<void>;
    checkOpenCl(): Promise<number>;
    /**
     * @param receptor  PDB string of target (receptor) structure
     * @param ligand    PDB or mol structure of the ligand to be docked
     * @param npts      Grid
     */
    dockLigand(receptor: BiostructureData, ligand: BiostructureData, autodockGpf: string, poseCount?: number, posColName?: string): Promise<DG.DataFrame>;
    dockLigandColumn(receptor: BiostructureData, ligandCol: DG.Column<string>, autodockGpf: string, poseCount?: number, posColName?: string): Promise<DG.DataFrame>;
    terminate(): Promise<void>;
}
export declare function getAutoDockService(): Promise<IAutoDockService>;
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