def testProperties(self): lj = LennardJones() lj.epsilon = 2.0 lj.sigma = 2.0 lj.cutoff = 4.0 lj.shift = 0.0 # here we test energy computation, as testing property access # would always work self.assertAlmostEqual(lj.computeEnergy(2.0), 0.0) self.assertAlmostEqual(lj.computeEnergy(2.0 * 2.0**(1.0 / 6.0)), -2.0)