diff --git a/testsuite/python/save_checkpoint.py b/testsuite/python/save_checkpoint.py index 28ebede504b..c465f2f2067 100644 --- a/testsuite/python/save_checkpoint.py +++ b/testsuite/python/save_checkpoint.py @@ -44,7 +44,13 @@ system.part[0].q = 1 system.part[1].q = -1 p3m = espressomd.electrostatics.P3M( - prefactor=1.0, accuracy=0.1, mesh=10, cao=1, alpha=1.0, r_cut=1.0, tune=False) + prefactor=1.0, + accuracy=0.1, + mesh=10, + cao=1, + alpha=1.0, + r_cut=1.0, + tune=False) system.actors.add(p3m) obs = espressomd.observables.ParticlePositions(ids=[0, 1]) acc = espressomd.accumulators.MeanVarianceCalculator(obs=obs) @@ -56,8 +62,7 @@ if espressomd.has_features(['VIRTUAL_SITES', 'VIRTUAL_SITES_RELATIVE']): system.virtual_sites = espressomd.virtual_sites.VirtualSitesRelative( - have_velocity=True, - have_quaternion=True) + have_velocity=True, have_quaternion=True) system.part[1].vs_auto_relate_to(0) if espressomd.has_features(['LENNARD_JONES']): system.non_bonded_inter[0, 0].lennard_jones.set_params( diff --git a/testsuite/python/test_checkpoint.py b/testsuite/python/test_checkpoint.py index fca8453b61d..2e08353f8f3 100644 --- a/testsuite/python/test_checkpoint.py +++ b/testsuite/python/test_checkpoint.py @@ -28,13 +28,15 @@ class CheckpointTest(ut.TestCase): @classmethod def setUpClass(self): checkpoint = espressomd.checkpointing.Checkpoint( - checkpoint_id="mycheckpoint", checkpoint_path="@CMAKE_CURRENT_BINARY_DIR@") + checkpoint_id="mycheckpoint", + checkpoint_path="@CMAKE_CURRENT_BINARY_DIR@") checkpoint.load(0) if espressomd.has_features('LB'): self.lbf = system.actors[0] self.lbf.load_checkpoint("@CMAKE_CURRENT_BINARY_DIR@/lb.cpt", 1) - @ut.skipIf(not espressomd.has_features('LB'), "Skipping test due to missing features.") + @ut.skipIf(not espressomd.has_features('LB'), + "Skipping test due to missing features.") def test_LB(self): np.testing.assert_almost_equal( np.copy(self.lbf[1, 1, 1].velocity), np.array([0.1, 0.2, 0.3])) @@ -59,11 +61,13 @@ def test_part(self): def test_thermostat(self): self.assertEqual(system.thermostat.get_state()[0]['type'], 'LANGEVIN') self.assertEqual(system.thermostat.get_state()[0]['kT'], 1.0) - np.testing.assert_array_equal( - system.thermostat.get_state()[0]['gamma'], np.array([2.0, 2.0, 2.0])) + np.testing.assert_array_equal(system.thermostat.get_state()[ + 0]['gamma'], np.array([2.0, 2.0, 2.0])) - @ut.skipIf(not espressomd.has_features(['LENNARD_JONES']), - "Cannot test for Lennard-Jones checkpointing because feature not compiled in.") + @ut.skipIf( + not espressomd.has_features( + ['LENNARD_JONES']), + "Cannot test for Lennard-Jones checkpointing because feature not compiled in.") def test_non_bonded_inter(self): state = system.non_bonded_inter[ 0, 0].lennard_jones._get_params_from_es_core() @@ -75,8 +79,8 @@ def test_non_bonded_inter(self): 1.2, 'cutoff': 2.0, 'offset': 0.0, 'min': 0.0} self.assertEqual( len(set(state.items()) & set(reference.items())), len(reference)) - self.assertEqual( - len(set(state2.items()) & set(reference2.items())), len(reference2)) + self.assertEqual(len(set(state2.items()) & set( + reference2.items())), len(reference2)) def test_bonded_inter(self): state = system.part[1].bonds[0][0].params @@ -87,11 +91,13 @@ def test_bonded_inter(self): @ut.skipIf( not espressomd.has_features( ['VIRTUAL_SITES', 'VIRTUAL_SITES_RELATIVE']), - "Cannot test for virtual site checkpointing because feature not compiled in.") + "Cannot test for virtual site checkpointing because feature not compiled in.") def test_virtual_sites(self): self.assertEqual(system.part[1].virtual, 1) self.assertTrue( - isinstance(system.virtual_sites, espressomd.virtual_sites.VirtualSitesRelative)) + isinstance( + system.virtual_sites, + espressomd.virtual_sites.VirtualSitesRelative)) def test_mean_variance_calculator(self): np.testing.assert_array_equal( @@ -99,11 +105,14 @@ def test_mean_variance_calculator(self): np.testing.assert_array_equal( acc.get_variance(), np.array([0., 0.5, 2., 0., 0., 0.])) - @ut.skipIf(not espressomd.has_features(['ELECTROSTATICS']), - "Cannot test for P3M checkpointing because feature not compiled in.") + @ut.skipIf( + not espressomd.has_features( + ['ELECTROSTATICS']), + "Cannot test for P3M checkpointing because feature not compiled in.") def test_p3m(self): - self.assertTrue( - isinstance(system.actors.active_actors[1], espressomd.electrostatics.P3M)) + self.assertTrue(any(isinstance(actor, espressomd.electrostatics.P3M) + for actor in system.actors.active_actors)) + if __name__ == '__main__': ut.main()