#!/usr/bin/env ovitos

import argparse

import numpy as np
from ovito.io import *
from ovito.modifiers import *


def copy_system(ncopy, fin, fout):
    nx = ncopy[0]
    ny = ncopy[1]
    nz = ncopy[2]
    node = import_file(fin)
    pbc = ShowPeriodicImagesModifier(
        adjust_box=True,
        num_x=nx,
        num_y=ny,
        num_z=nz,
        replicate_x=True,
        replicate_y=True,
        replicate_z=True,
    )
    node.modifiers.append(pbc)
    node.compute()
    export_file(node, fout, "vasp")


parser = argparse.ArgumentParser(description="Copy system")
parser.add_argument(
    "-n", "--ncopy", type=int, nargs=3, help="the number of copies in each direction"
)
parser.add_argument("INPUT", type=str, help="the input file")
parser.add_argument("OUTPUT", type=str, help="the output file")
args = parser.parse_args()

copy_system(args.ncopy, args.INPUT, args.OUTPUT)
