def setUp(self):
#GMIN.initialize()
# self.pot = GMINPotential(GMIN)
self.nrigid = 10
self.water = create_water()
self.topology = RBTopology()
self.topology.add_sites([deepcopy(self.water) for i in xrange(self.nrigid)])
def setUp(self):
#GMIN.initialize()
# self.pot = GMINPotential(GMIN)
self.nrigid = 10
self.water = create_water()
self.topology = RBTopology()
self.topology.add_sites([deepcopy(self.water) for _ in xrange(self.nrigid)])
self.topology.finalize_setup()
def setUp(self):
self.nrigid = 10
self.topology = RBTopology()
self.topology.add_sites([create_water() for _ in range(self.nrigid)])
self.topology.finalize_setup()
self.transform = TransformAngleAxisCluster(self.topology)
def setUp(self):
self.nrigid = 10
self.topology = RBTopology()
self.topology.add_sites([create_water() for _ in range(self.nrigid)])
self.topology.finalize_setup()
self.transform = TransformAngleAxisCluster(self.topology)
