/** * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose * @author David Sehnal * @author Ludovic Autin */ import { Column } from '../../../mol-data/db.js'; interface LammpsUnitStyle { mass: string; distance: string; time: string; energy: string; velocity: string; force: string; torque: string; temperature: string; pressure: string; viscosity: string; charge: string; dipole?: string; electricField?: string; density: string; scale: number; } export declare const lammpsUnitStyles: { [key: string]: LammpsUnitStyle; }; export declare const UnitStyles: readonly ["real", "metal", "si", "cgs", "electron", "micro", "nano", "lj"]; export type UnitStyle = typeof UnitStyles[number]; export interface LammpsDataFile { readonly atoms: { readonly count: number; readonly atomId: Column; readonly moleculeId: Column; readonly atomType: Column; readonly charge: Column; readonly x: Column; readonly y: Column; readonly z: Column; }; readonly bonds: { readonly count: number; readonly bondId: Column; readonly bondType: Column; readonly atomIdA: Column; readonly atomIdB: Column; }; } export interface LammpsBox { lower: [number, number, number]; length: [number, number, number]; periodicity: [string, string, string]; } export interface LammpsFrame { count: number; atomMode: string; atomId: Column; moleculeId: Column; atomType: Column; x: Column; y: Column; z: Column; } export interface LammpsTrajectoryFile { frames: LammpsFrame[]; times: number[]; bounds: LammpsBox[]; timeOffset: number; deltaTime: number; } export {};