Files
Alyssa Travitz 8d229cffe3 membrane CLI support (#1896)
* 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>
2026-04-27 09:05:43 -07:00
..
2025-10-21 11:45:37 +01:00
2026-04-27 09:05:43 -07:00
2024-03-27 16:13:47 +00:00
2024-03-27 12:52:07 +00:00
2025-09-23 09:52:11 +01:00
2025-10-13 18:56:26 +01:00