"""Plugins for the ``fetch`` command""" from openfecli.fetching import URLFetcher, PkgResourceFetcher _EXAMPLE_NB_BASE = ("https://raw.githubusercontent.com/" "OpenFreeEnergy/ExampleNotebooks/main/") RBFE_SHOWCASE = URLFetcher( resources=[ (_EXAMPLE_NB_BASE + "openmm_rbfe/inputs/", "181L_mod_capped_protonated.pdb"), (_EXAMPLE_NB_BASE + "openmm_rbfe/inputs/", "Jnk1_ligands.sdf"), (_EXAMPLE_NB_BASE + "openmm_rbfe/inputs/", "benzene.sdf"), (_EXAMPLE_NB_BASE + "openmm_rbfe/inputs/", "ligands.sdf"), (_EXAMPLE_NB_BASE + "openmm_rbfe/inputs/", "styrene.sdf"), ], short_name="rbfe-showcase", short_help="Inputs needed for the RBFE Showcase Notebook", section="hidden", requires_ofe=(0, 9, 1), ).plugin RBFE_TUTORIAL = URLFetcher( resources=[ (_EXAMPLE_NB_BASE + "rbfe_tutorial/", "tyk2_ligands.sdf"), (_EXAMPLE_NB_BASE + "rbfe_tutorial/", "tyk2_protein.pdb"), (_EXAMPLE_NB_BASE + "rbfe_tutorial/", "cli_tutorial.md"), (_EXAMPLE_NB_BASE + "rbfe_tutorial/", "python_tutorial.ipynb"), ], short_name="rbfe-tutorial", short_help="CLI and Python tutorial on relative binding free energies", section="Tutorials", requires_ofe=(0, 7, 0), ).plugin RBFE_TUTORIAL_RESULTS = PkgResourceFetcher( resources=[ ("openfecli.tests.data", "rbfe_results.tar.gz"), ], short_name="rbfe-tutorial-results", short_help="Results package to follow-up the rbfe-tutorial", section="Tutorials", requires_ofe=(0, 7, 5), ).plugin