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