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* initial cli ideas * clean up names * add test * update docstrings and fix imports * fix tests * use gufe gzip branch * clean up fixtures * update fixtures * adding membrane component to tests * add membrane barostat check * make output more consistent and add membrane args test * error messages * revert some out of scope typing things * tidying fixtures * update protein arg parsing * clearer var naming * add protein validate * add validation * fix handling for membrane solvents * update docstring * point to membrane tutorial branch * linking * remove redundant validation * remove unneeded type hints * Update src/openfecli/commands/plan_rbfe_network.py Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> * Update src/openfecli/parameters/protein.py Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> * clean up suggestions * use click BadParameter * testing arg errors * update examplenotebook branch * add news item * use BadParameter * fix test comments --------- Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
4 lines
75 B
Plaintext
4 lines
75 B
Plaintext
{
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"path": "../ExampleNotebooks/membranes/rbfe_membrane_protein.ipynb"
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}
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