def test_setters(self, charge, mass): new_type = AtomType() new_type.name = "SettingName" new_type.charge = -1.0 * charge new_type.mass = 1 * mass new_type.independent_variables = 'r' new_type.parameters = {'sigma': 1 * u.nm, 'epsilon': 10 * u.Unit('kcal / mol')} new_type.expression = 'r * sigma * epsilon' assert new_type.name == "SettingName" assert_allclose_units(new_type.charge, -1.0 * charge, rtol=1e-5, atol=1e-8) assert_allclose_units(new_type.mass, 1 * mass, rtol=1e-5, atol=1e-8) assert new_type.independent_variables == {sympy.symbols('r')} assert new_type.parameters == {'sigma': 1 * u.nm, 'epsilon': 10 * u.Unit('kcal / mol')} assert new_type.expression == sympy.sympify('r * sigma * epsilon')
def test_setters(self, charge, mass): new_type = AtomType() new_type.name = "SettingName" new_type.charge = -1.0 * charge new_type.mass = 1 * mass new_type.independent_variables = "r" new_type.parameters = { "sigma": 1 * u.nm, "epsilon": 10 * u.Unit("kcal / mol"), } new_type.expression = "r * sigma * epsilon" assert new_type.name == "SettingName" assert_allclose_units( new_type.charge, -1.0 * charge, rtol=1e-5, atol=1e-8 ) assert_allclose_units(new_type.mass, 1 * mass, rtol=1e-5, atol=1e-8) assert new_type.independent_variables == {sympy.symbols("r")} assert new_type.parameters == { "sigma": 1 * u.nm, "epsilon": 10 * u.Unit("kcal / mol"), } assert new_type.expression == sympy.sympify("r * sigma * epsilon")