Best Python code snippet using lisa_python
libxtb.py
Source:libxtb.py
...43 api_version // 10000,44 api_version % 10000 // 100,45 api_version % 100,46 )47def _delete_environment(env):48 """Delete a xtb calculation environment object"""49 ptr = ffi.new("xtb_TEnvironment *")50 ptr[0] = env51 lib.xtb_delEnvironment(ptr)52def new_environment():53 """Create new xtb calculation environment object"""54 return ffi.gc(lib.xtb_newEnvironment(), _delete_environment)55def _delete_molecule(mol):56 """Delete molecular structure data"""57 ptr = ffi.new("xtb_TMolecule *")58 ptr[0] = mol59 lib.xtb_delMolecule(ptr)60def new_molecule(env, natoms, numbers, positions, charge, uhf, lattice, periodic):61 """Create new molecular structure data"""...
test_environments.py
Source:test_environments.py
...29 def test_create_and_delete_environments(self):30 scenario = environments.FuelEnvironments()31 scenario._create_environment = mock.Mock(return_value=42)32 scenario._delete_environment = mock.Mock()33 scenario.create_and_delete_environment(34 release_id=2, network_provider="test_neutron",35 deployment_mode="test_mode", net_segment_type="test_type")36 scenario._create_environment.assert_called_once_with(37 release_id=2, network_provider="test_neutron",38 deployment_mode="test_mode", net_segment_type="test_type")...
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