def testProperties(self): sc=SoftCosine() sc.A=2.0 sc.cutoff=1.1 sc.shift=0.0 # here we test energy computation, as testing property access # would always work self.assertAlmostEqual(sc.computeEnergy(0.0), 4.0) self.assertAlmostEqual(sc.computeEnergy(1.1), 0.0) self.assertAlmostEqual(sc.computeEnergy(2.5), 0.0)
def testEnergy(self): sc=SoftCosine(A=2.0) self.assertAlmostEqual(sc.computeEnergy(0.0), 4.0)