added regression values for est and uncertainty

OpenFreeEnergy · Sep 22, 2023 · ab0ae26 · ab0ae26
1 parent 2c8b8ff
commit ab0ae26
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py b/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py
@@ -1263,13 +1263,15 @@ def test_get_estimate(self, protocolresult):
         est = protocolresult.get_estimate()
 
         assert est
+        assert est.m == pytest.approx(-15.768768285032115)
         assert isinstance(est, unit.Quantity)
         assert est.is_compatible_with(unit.kilojoule_per_mole)
 
     def test_get_uncertainty(self, protocolresult):
         est = protocolresult.get_uncertainty()
 
         assert est
+        assert est.m == pytest.approx(0.03662634237353985)
         assert isinstance(est, unit.Quantity)
         assert est.is_compatible_with(unit.kilojoule_per_mole)