make-ligand-list

#!/usr/bin/env python3
#
# Copyright 2023 - University of Kansas - All rights reserved.
# Written by Matthew Copeland (matthew@ku.edu)
#
# This file is licensed under the GNU Affero General Public License v3.0.
#
import sys
from pathlib import Path


def usage():
    print("Usage:  make-ligand-list directory-containing-ligand-files ligand-list.txt")
    sys.exit(1)


def main():
    argc = len(sys.argv)
    if argc != 3 and "--help" not in sys.argv and "-h" not in sys.argv:
        usage()

    directory = sys.argv[1]
    output_file = sys.argv[2]
    dirpath = Path(directory)

    if dirpath.exists() and dirpath.is_dir():
        files = [x for x in dirpath.iterdir() if x.is_file() and not x.is_dir()]
        with open(output_file, "w") as output:
            for file in files:
                output.write(str(file.absolute()) + "\n")
    else:
        usage()


if __name__ == '__main__':
    main()