mirror of
https://github.com/OpenFreeEnergy/openfe.git
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588f552ca9
* isort for docs and utils * isort for top-level openfe, analysis, setup * isort setup/ * isort storage/ * isort protocols * isort openn_afe * isort openmm_rfe * isort all protocols * apply isort to openfe/tests * apply isort to openfecli * apply isort to devtools/ * add TODO for setup init
37 lines
954 B
Python
37 lines
954 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=(
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"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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)
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MAPPER = Option(
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"--mapper",
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getter=get_atommapper,
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help=(
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"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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)
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