From 3cca41b72e4a25dd9274c8122d544e321d7abc41 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 12 Feb 2022 09:37:43 -0500 Subject: [PATCH] print help without arguments. clarify help message and argument names text --- tools/eam_database/create_eam.py | 15 ++++++++++----- 1 file changed, 10 insertions(+), 5 deletions(-) diff --git a/tools/eam_database/create_eam.py b/tools/eam_database/create_eam.py index 23943a4f7d..bd1ca8e90a 100644 --- a/tools/eam_database/create_eam.py +++ b/tools/eam_database/create_eam.py @@ -103,12 +103,17 @@ def write_file(attypes, filename, Fr, rhor, z2r, nrho, drho, nr, dr, rc): def main(): - parser = ap.ArgumentParser(description="Script to make EAM alloy file inputs.") - parser.add_argument("-n", "--names", dest="names", nargs="+", help="Atom names.") + parser = ap.ArgumentParser(description="Script to create EAM alloy potential files.") + + parser.add_argument("-n", "--names", dest="name", nargs="+", help="Element names.") parser.add_argument("-nr", dest="nr", type=int, default=2000, help="Number of point in r space [default 2000].") parser.add_argument("-nrho", dest="nrho", type=int, default=2000, help="Number of point in rho space [default 2000].") args = parser.parse_args() - atnames = args.names + if not args.name: + parser.print_help() + sys.exit("") + + atnames = args.name nr = args.nr nrho = args.nrho @@ -116,8 +121,8 @@ def main(): try: Database[n] except KeyError: - output = "Atom {} not found.\n".format(n) - valid = "Valid inputs are: {}".format(" ".join(Database.keys())) + output = "Element {} not found in database.\n".format(n) + valid = "Supported elements are: {}".format(" ".join(Database.keys())) sys.exit("".join([output, valid])) ntypes = len(atnames)