コード例 #1
0
 def test_cnlist1d_1(self):
     particle_positions = np.array([[9], [4], [1]])
     box_space = np.array([12])
     cutoff = 3
     s1 = Neighbourlist(particle_positions, box_space, cutoff)
     print(s1.calculate_index(np.array([1, 0, 0])))
     reference_CnList = np.array([[3, 0, 1, 2], [0, 1, 2, 3], [1, 2, 3, 0]])
     cnlist = s1.cell_neighbour_list_1D()
     print(cnlist)
     sorted_referenceCnList = np.sort(reference_CnList, axis=0)
     sorted_outputCnList = np.sort(cnlist[:, :, 0], axis=0)
     npt.assert_equal(sorted_referenceCnList,
                      sorted_outputCnList,
                      'Failed',
                      verbose=True)
コード例 #2
0
 def test_list1d(self):
     particle_positions = np.array([[1], [0], [3], [4], [0]])
     box_space = np.array([4])
     cutoff = 2
     s1 = Neighbourlist(particle_positions, box_space, cutoff)
     print(s1.cell_neighbour_list_1D())