Fix MCMC moves YAML test after openmmtools release
@@ -760,10 +760,11 @@ def test_validation_wrong_mcmc_moves():
{'type': 'LangevinSplittingDynamicsMove', 'timestep': 2.0}),
("Could not find class UnknownMoveClass",
{'type': 'UnknownMoveClass'}),
+ ("Could not find class NestedUnknownMoveClass",
{'type': 'SequenceMove', 'move_list': [
{'type': 'MCDisplacementMove'},
- {'type': 'UnknownMoveClass'}
- ]}
+ {'type': 'NestedUnknownMoveClass'}
+ ]})
]
for regexp, mcmc_move in mcmc_moves:
script = {'mcmc_moves': {'mcmc_move1': mcmc_move}}
@@ -2698,15 +2699,6 @@ def test_run_solvation_experiment():
solvation_stock(tmp_dir)
-def test_splitting():
- """Test that different integrator splittings work"""
- for replacement in [{'options': {'integrator_splitting': None}},
- {'options': {'integrator_splitting': "O { V R V } O"}}]:
- with mmtools.utils.temporary_directory() as tmp_dir:
- replacement['options']['default_number_of_iterations'] = 1
- solvation_stock(tmp_dir, overwrite_options=replacement)
-
-
def test_automatic_alchemical_path():
"""Test automatic alchemical path."""
with mmtools.utils.temporary_directory() as tmp_dir:
