From 9f5795b93a411a128334616a4d1a6c304be45bcf Mon Sep 17 00:00:00 2001 From: hannahbaumann Date: Tue, 30 Jan 2024 09:57:56 +0100 Subject: [PATCH] Fix custom json --- gufe/tests/test_custom_json.py | 15 ++++++++------- 1 file changed, 8 insertions(+), 7 deletions(-) diff --git a/gufe/tests/test_custom_json.py b/gufe/tests/test_custom_json.py index 3a5d7bd5..2be5e438 100644 --- a/gufe/tests/test_custom_json.py +++ b/gufe/tests/test_custom_json.py @@ -220,18 +220,19 @@ def setup_method(self): ], "small_molecule_forcefield": "openff-2.0.0", "nonbonded_method": "PME", - "nonbonded_cutoff": 1.0 * unit.nanometer, + "nonbonded_cutoff": {':is_custom:': True, + 'magnitude': 1.0, + 'pint_unit_registry': 'openff_units', + 'unit': 'nanometer'}, }, "thermo_settings": { "__class__": "ThermoSettings", "__module__": "gufe.settings.models", ":is_custom:": True, - "temperature": { - "magnitude": 300, - "unit": "kelvin", - ":is_custom:": True, - "pint_unit_registry": "openff_units", - }, + "temperature": {":is_custom:": True, + "magnitude": 300.0, + "pint_unit_registry": "openff_units", + "unit": "kelvin"}, "pressure": None, "ph": None, "redox_potential": None,