def setUp(self):
# create some DontLeaveBasin objects with different energy
# criteria
self.dlb_e_plus2 = dlb.DontLeaveBasin(Ecriterion=100.0)
self.dlb_e_0 = dlb.DontLeaveBasin(Ecriterion=1.0)
self.dlb_e_4 = dlb.DontLeaveBasin(Ecriterion=1.0e-4)
self.dlb_e_6 = dlb.DontLeaveBasin(Ecriterion=1.0e-6)
self.dlb_default = dlb.DontLeaveBasin()
def test_rejectZeroCriterion(self):
# test that with an energy criterion of zero, all changes in energy
# are rejected
# Create a DontLeaveBasin object with Ecriterion = 0
dlb_zero = dlb.DontLeaveBasin(Ecriterion=0.0)
(Eold, Enew) = (random.random(), random.random())
self.assertTrue(not dlb_zero.acceptReject(Eold, Enew))