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)
