def chi_angle_atom()

in src/analysis/residue_constants.py [0:0]

• 15 lines of code
• 5 McCabe index (conditional complexity)

def chi_angle_atom(atom_index: int) -> np.ndarray:
  """Define chi-angle rigid groups via one-hot representations."""
  chi_angles_index = {}
  one_hots = []

  for k, v in chi_angles_atoms.items():
    indices = [atom_types.index(s[atom_index]) for s in v]
    indices.extend([-1]*(4-len(indices)))
    chi_angles_index[k] = indices

  for r in restypes:
    res3 = restype_1to3[r]
    one_hot = np.eye(atom_type_num)[chi_angles_index[res3]]
    one_hots.append(one_hot)

  one_hots.append(np.zeros([4, atom_type_num]))  # Add zeros for residue `X`.
  one_hot = np.stack(one_hots, axis=0)
  one_hot = np.transpose(one_hot, [0, 2, 1])

  return one_hot