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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author David Sehnal <david.sehnal@gmail.com> * @author Ludovic Autin <ludovic.autin@gmail.com> */ import { Column } from '../../../mol-data/db'; 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<number>; readonly moleculeId: Column<number>; readonly atomType: Column<number>; readonly charge: Column<number>; readonly x: Column<number>; readonly y: Column<number>; readonly z: Column<number>; }; readonly bonds: { readonly count: number; readonly bondId: Column<number>; readonly bondType: Column<number>; readonly atomIdA: Column<number>; readonly atomIdB: Column<number>; }; } export interface LammpsBox { lower: [number, number, number]; length: [number, number, number]; periodicity: [string, string, string]; } export interface LammpsFrame { count: number; atomMode: string; atomId: Column<number>; moleculeId: Column<number>; atomType: Column<number>; x: Column<number>; y: Column<number>; z: Column<number>; } export interface LammpsTrajectoryFile { frames: LammpsFrame[]; times: number[]; bounds: LammpsBox[]; timeOffset: number; deltaTime: number; } export {};