def get_pae_json()

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

• 11 lines of code
• 1 McCabe index (conditional complexity)

def get_pae_json(pae: np.ndarray, max_pae: float) -> str:
  """Returns the PAE in the same format as is used in the AFDB."""
  rounded_errors = np.round(pae.astype(np.float64), decimals=1)
  indices = np.indices((len(rounded_errors), len(rounded_errors))) + 1
  indices_1 = indices[0].flatten().tolist()
  indices_2 = indices[1].flatten().tolist()
  return json.dumps(
      [{'residue1': indices_1,
        'residue2': indices_2,
        'distance': rounded_errors.flatten().tolist(),
        'max_predicted_aligned_error': max_pae}],
      indent=None, separators=(',', ':'))