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https://github.com/OpenFreeEnergy/openfe.git
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41068e0185
* Initial skeleton for the CLI Currently requires the OPS CLI to be installed as well; next steps: 1. Add parameter core classes to infrastructure 2. Fully separate infrastructure into its own package * switch to using plugcli * tests for CLI * helps if you add the tests... * pep8 and deps cleanup * add test_plugins * Start of CLI atommapping report * Add tests for parameters * Almost-working atommapping command * add hack to work-around lomap issue * fix test * pep8; docstrings; add header comments * Add tests for commands/atommapping * docstrings * add init to command to stop circular import error * remove init and it still works? Co-authored-by: richard <richard@nextmovesoftware.com>
20 lines
483 B
Python
20 lines
483 B
Python
import pytest
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import click
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from openfecli.parameters.mapper import get_atommapper
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from openfe.setup import LomapAtomMapper
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@pytest.mark.parametrize("user_input,expected", [
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('LomapAtomMapper', LomapAtomMapper),
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('openfe.setup.LomapAtomMapper', LomapAtomMapper),
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])
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def test_get_atommapper(user_input, expected):
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assert get_atommapper(user_input) is expected
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def test_get_atommapper_error():
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with pytest.raises(click.BadParameter):
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get_atommapper("foo")
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