def bondsMatch(self, inType, outBond, inParams, outParams, msg_long):
"""Check, if the bond type set and gotten back as well as the bond
parameters set and gotten back match. Only check keys present in
``inParams``.
"""
self.assertEqual(outBond, inType, msg="Bonded interaction mismatch")
assert_params_match(self, inParams, outParams, msg_long)
def intersMatch(self, inType, outInter, inParams, outParams, msg_long):
"""Check, if the interaction type set and gotten back as well as the
bond parameters set and gotten back match. Only check keys present in
``inParams``.
"""
self.assertIsInstance(outInter, inType)
tests_common.assert_params_match(self, inParams, outParams, msg_long)
def test(self):
system = espressomd.System(box_l=[10.0, 10.0, 10.0])
test_params = {}
test_params["prefactor"] = 2
test_params["cao"] = 2
test_params["r_cut"] = 0.9
test_params["accuracy"] = 1e-1
test_params["mesh"] = [10, 10, 10]
test_params["epsilon"] = 20.0
test_params["alpha"] = 1.1
test_params["tune"] = False
p3m = espressomd.electrostatics.P3MGPU(**test_params)
system.actors.add(p3m)
tests_common.assert_params_match(self, test_params, p3m.get_params())
def test_cell_system(self):
parameters = {
"n_square": {
"use_verlet_lists": False
},
"regular_decomposition": {
"use_verlet_lists": True
},
"hybrid_decomposition": {
"use_verlet_lists": False,
"n_square_types": [1, 3, 5],
"cutoff_regular": 1.27
},
}
for cell_system, params_in in parameters.items():
setter = getattr(self.system.cell_system, f"set_{cell_system}")
setter(**params_in)
params_in["decomposition_type"] = cell_system
params_out = self.system.cell_system.get_params()
tests_common.assert_params_match(self, params_in, params_out)
params_out = self.system.cell_system.get_state()
tests_common.assert_params_match(self, params_in, params_out)