def setUp(self): self.natoms = 11 # self.x0 = _utils.random_configuration(3*11) # self.x1 = _utils.random_configuration(3*11) # self.policy = TransformPolicyAtomicCluster() self.measure = MeasureCartesian()
def setUp1(self): self.natoms = 11 self.policy = TransformPolicyAtomicCluster() self.permlist = [range(self.natoms)] self.measure = MeasureCartesian(permlist=self.permlist) self.wrapped_optimize_permutations = lambda x1, x2: optimize_permutations( x1, x2, self.permlist)