@chemistry/mol3dview/dist/src/molecule3d/Molecule3D.d.ts

Crystal Structure Viewer

import { Vec3 } from "@chemistry/math";
import { Atom } from "./Atom";
import { Bond } from "./Bond";
import { CellAtom } from "./CellAtom";
import { Marker } from "./Marker";
import { MarkerContact } from "./MarkerContact";
import { UnitCell } from "./UnitCell";
export declare class Molecule3D {
    title: string;
    unitCell: UnitCell;
    cellAtoms: CellAtom[];
    atoms: Atom[];
    bonds: Bond[];
    markers: Marker[];
    markersContacts: MarkerContact[];
    private reader;
    private builder;
    private connector;
    private initConnectivity;
    private center;
    private radius;
    constructor();
    load(input: object): void;
    buildConnectivity(): void;
    clear(): void;
    addCellAtom(data: {
        type: string;
        label: string;
        x: number;
        y: number;
        z: number;
        occupancy: number;
        uiso: number;
        assembly: string;
        group: string;
    }): void;
    addAtom(atom: Atom): void;
    /**
     * Rerutn molecule center
     */
    getCenter(): Vec3;
    getRadius(): number;
    extendByMarker(makers: Marker): void;
}