Files
openfe/openfecli/parameters/misc.py
Alyssa Travitz 9f386ab933 Update CLI help messages (#1265)
* updating misc help messages

* add view ligand network help message and docstirng

* minor language changes

* whitespace :(

* fixing whitespace
2025-06-05 13:12:02 -07:00

25 lines
879 B
Python

import click
from plugcli.params import Option
N_PROTOCOL_REPEATS = Option(
"--n-protocol-repeats",
type=click.INT,
help="Number of independent repeat(s) to be run per execution of a transformation using the ``openfe quickrun`` command.\n\n"
"For example:\n\n ``--n-protocol-repeats=3`` means ``openfe quickrun`` will execute 3 repeats in serial.\n\n"
" ``--n-protocol-repeats=1`` means ``openfe quickrun`` will execute only 1 repeat per call, "
"which allows for individual repeats to be submitted in parallel by calling ``openfe quickrun`` on the same input JSON file multiple times.",
)
NCORES = Option(
"-n",
"--n-cores",
help="Number of cores to use for multiprocessing."
)
OVERWRITE = Option(
"--overwrite-charges",
is_flag=True,
default=False,
help="Overwrite any partial charges present in the input molecules."
)