old_contents: """Test quadrupole calculation."""
  
  import shutil
  from pathlib import Path
  
  import numpy as np
  from assertionlib import assertion
  from nanoqm.integrals.multipole_matrices import compute_matrix_multipole
  from nanoqm.workflows.input_validation import process_input
  from qmflows.parsers.xyzParser import readXYZ
  
  from .utilsTest import PATH_TEST, copy_basis_and_orbitals
  
  
  def test_quadropole(tmp_path):
      """Test the calculation of a quadrupole."""
      file_path = PATH_TEST / "input_test_single_points.yml"
      config = process_input(file_path, 'single_points')
      path_original_hdf5 = config.path_hdf5
      path_test_hdf5 = (Path(tmp_path) / "multipoles.hdf5").as_posix()
  
      # copy the precomputed data to the temporal HDF5
      shutil.copyfile(path_original_hdf5, path_test_hdf5)
      config.path_hdf5 = path_test_hdf5
  
      mol = readXYZ((PATH_TEST / "ethylene.xyz").as_posix())
      matrix = compute_matrix_multipole(mol, config, "quadrupole")
      # The matrix contains the overlap + dipole + quadrupole
      assertion.shape_eq(matrix, (10, 46, 46))
      # Check that the matrices are symmetric
      for i in range(10):
          arr = matrix[i].reshape(46, 46)
          assertion.truth(np.allclose(arr, arr.T))
  
new_contents: """Test quadrupole calculation."""
  
  import shutil
  from pathlib import Path
  
  import numpy as np
  from assertionlib import assertion
  from nanoqm.integrals.multipole_matrices import compute_matrix_multipole
  from nanoqm.workflows.input_validation import process_input
  from qmflows.parsers.xyzParser import readXYZ
  
  from .utilsTest import PATH_TEST
  
  
  def test_quadropole(tmp_path):
      """Test the calculation of a quadrupole."""
      file_path = PATH_TEST / "input_test_single_points.yml"
      config = process_input(file_path, 'single_points')
      path_original_hdf5 = config.path_hdf5
      path_test_hdf5 = (Path(tmp_path) / "multipoles.hdf5").as_posix()
  
      # copy the precomputed data to the temporal HDF5
      shutil.copyfile(path_original_hdf5, path_test_hdf5)
      config.path_hdf5 = path_test_hdf5
  
      mol = readXYZ((PATH_TEST / "ethylene.xyz").as_posix())
      matrix = compute_matrix_multipole(mol, config, "quadrupole")
      # The matrix contains the overlap + dipole + quadrupole
      assertion.shape_eq(matrix, (10, 46, 46))
      # Check that the matrices are symmetric
      for i in range(10):
          arr = matrix[i].reshape(46, 46)
          assertion.truth(np.allclose(arr, arr.T))
  
subject: remove copy_basis_and_orbitals