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31 lines
946 B
Python
31 lines
946 B
Python
# This code is part of OpenFE and is licensed under the MIT license.
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# For details, see https://github.com/OpenFreeEnergy/openfe
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from plugcli.params import MultiStrategyGetter, Option
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from openfecli.parameters.utils import import_parameter
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def _atommapper_from_openfe_setup(user_input, context):
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return import_parameter("openfe.setup." + user_input)
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def _atommapper_from_qualname(user_input, context):
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return import_parameter(user_input)
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get_atommapper = MultiStrategyGetter(
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strategies=[
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_atommapper_from_qualname,
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_atommapper_from_openfe_setup,
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],
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error_message=("Unable to create atom mapper from user input "
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"'{user_input}'. Please check spelling and "
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"capitalization.")
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)
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MAPPER = Option(
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"--mapper",
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getter=get_atommapper,
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help=("Atom mapper; can either be a name in the openfe.setup namespace "
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"or a custom fully-qualified name.")
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)
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