def setUp(self): self.natoms = 31 self.ntypeA = int(self.natoms * 0.8) self.policy = TransformPolicyAtomicCluster() self.permlist = [range(self.ntypeA), range(self.ntypeA, self.natoms)] self.measure = MeasureCartesian(permlist=self.permlist) self.wrapped_optimize_permutations = lambda x1, x2: optimize_permutations(x1, x2, self.permlist)
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)
def setUp(self): self.setUp1() self.wrapped_optimize_permutations = lambda x1, x2: optimize_permutations(x1, x2, self.permlist, user_cost_matrix=_cost_matrix_cartesian)
def find_permutation(self, X1, X2): if self.permlist is None: raise RuntimeError( "can't optimize permutations if permlist is None") return optimize_permutations(X1, X2, self.permlist)
def setUp(self): self.setUp1() self.wrapped_optimize_permutations = lambda x1, x2: optimize_permutations( x1, x2, self.permlist, user_cost_matrix=_cost_matrix_cartesian)
def find_permutation(self, X1, X2): if self.permlist is None: raise RuntimeError("can't optimize permutations if permlist is None") return optimize_permutations(X1, X2, self.permlist)