Command-line interface to tidynamicsΒΆ

The program reads in data from the file input_file (using np.loadtxt from NumPy) and performs the selected action on the data, chosen in:

  • acf for the autocorrelation function
  • msd for the mean-square displacement

The program writes the result in the file output_file using the function np.savetxt from NumPy.

For more information, consult the documentation of tidynamics at

from __future__ import print_function, division

import argparse
import numpy as np
import tidynamics

parser = argparse.ArgumentParser(description=__doc__,
                    help='Choice of computation to perform on input file',
                    choices=['acf', 'msd'])
                    help='Filename for input data')
                    help='Filename for the result of the computation')
args = parser.parse_args()

input_data = np.loadtxt(args.input_file)

if args.action == 'acf':
    result = tidynamics.acf(input_data)
elif args.action == 'msd':
    result =

np.savetxt(args.output_file, result)

Total running time of the script: ( 0 minutes 0.000 seconds)

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