molstar
Version:
A comprehensive macromolecular library.
43 lines (42 loc) • 1.22 kB
TypeScript
/**
* Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* Adapted from NGL.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { Vec3 } from '../../../mol-math/linear-algebra';
import { Column } from '../../../mol-data/db';
import { Task } from '../../../mol-task';
import { ReaderResult as Result } from '../result';
import { StringLike } from '../../common/string-like';
export interface CubeFile {
name: string;
header: CubeFile.Header;
atoms: CubeFile.Atoms;
values: Float64Array;
}
export declare namespace CubeFile {
interface Header {
orbitals: boolean;
comment1: string;
comment2: string;
atomCount: number;
origin: Vec3;
dim: Vec3;
basisX: Vec3;
basisY: Vec3;
basisZ: Vec3;
dataSetIds: number[];
}
interface Atoms {
count: number;
number: Column<number>;
nuclearCharge: Column<number>;
x: Column<number>;
y: Column<number>;
z: Column<number>;
}
}
export declare function parseCube(data: StringLike, name: string): Task<Result<CubeFile>>;