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)
def setUp(self):
self.natoms = 11
self.policy = TransformPolicyAtomicCluster()
self.transform_list = [self.invert, self.rrot, self.rtrans, self.rperm]
