Alyssa Travitz 3dc10653d1 require -o option for CLI charge generation (#1255) ...

* require -o option for charge generator

* adding a test for missing -o

2025-04-24 14:08:12 -07:00

..

test_gather

Pass through failed simulations to output (#1227)

2025-04-22 07:24:31 -07:00

__init__.py

Add test for quickrun

2022-10-03 14:38:26 -05:00

test_atommapping.py

rename molX to componentX for mappings

2022-10-27 12:30:18 +01:00

test_charge_generation.py

require -o option for CLI charge generation (#1255)

2025-04-24 14:08:12 -07:00

test_gather.py

pretty print tables with rich (#1246)

2025-04-24 10:02:26 -07:00

test_ligand_network_viewer.py

CLI Updates

2023-05-13 07:16:51 -04:00

test_plan_rbfe_network.py

migrate json loading to new gufe syntax (#1177)

2025-03-25 23:32:26 +00:00

test_plan_rhfe_network.py

migrate json loading to new gufe syntax (#1177)

2025-03-25 23:32:26 +00:00

test_quickrun.py

Support outdir created at runtime (#1072)

2025-01-14 16:50:37 +00:00

test_test.py

Add tests -- without testception!

2023-05-01 12:59:24 -05:00