def test_broken(self):
lattice=CubicLattice()
coords=[[0,0,0],
[0,0,1],
[0,5,1],
[0,5,0]]
structure=LatticeStructure(lattice,coords)
self.assertTrue(structure.broken_chain())
def test_multidomain(self):
lattice=CubicLattice()
coords=[[0,0,0],
[0,0,1],
[0,0,2],
[0,0,3],
[0,1,3],
[0,1,2],
[0,1,1],
[0,1,0]]
structure=LatticeStructure(lattice,coords, chain_list=[4,4])
structure.make_contact_map()
self.assertEqual(4,len(structure.contact_map))
self.assertEqual(0,len(structure.overlap_map))
self.assertFalse(structure.broken_chain())
self.assertEqual(2,structure.num_chains)
self.assertEqual(1,structure.coordination_no[0])
self.assertEqual(1,structure.coordination_no[1])
