@chemistry/mol3dview/dist/src/molecule3d/UnitCell.d.ts

Crystal Structure Viewer

import { Matrix3x4, Vec3 } from "@chemistry/math";
import { SpaceGroup } from "@crystallography/space-groups";
export declare class UnitCell {
    /**
     * Will construct Transformation Matrix from Crystallographic notation
     * e.g. x,y,z -x+1/2, -y, z+1/2
     */
    static getMatrixFromSymetry(symetryCode: string): Matrix3x4;
    a: number;
    b: number;
    c: number;
    alpha: number;
    beta: number;
    gamma: number;
    spaceGroup: SpaceGroup;
    volume: number;
    symetryList: Matrix3x4[];
    private mOrthMatrix;
    private mOrthMatrixInvert;
    constructor(a: number, b: number, c: number, alpha: number, beta: number, gamma: number, spaceGroup: SpaceGroup);
    /**
     * Convert fractional coordinates to Orth
     */
    fractToOrth(coord: Vec3): Vec3;
    /**
     * Convert Orth coordinates to fractional
     */
    orthToFract(coord: Vec3): Vec3;
    /**
     * Based on Orth box conner coordinates Return
     * posible tranactions to get evry posible dot from this box
     */
    transactionsFromOrthBox(point1: Vec3, point2: Vec3): Vec3[];
    private init();
}