Fixing type errors and removing some comments

  from rdkit import Chem

  from rdkit.Chem import rdmolops

  N = len(mol.GetAtoms())

  if max_pair_distance == "infinity" or max_pair_distance > N:

    max_pair_distance = N

  elif max_pair_distance <= 0:

  if (isinstance(max_pair_distance, str) and

      max_pair_distance == "infinity") or (isinstance(max_pair_distance, int)

                                           and max_pair_distance >= N):

    max_distance = N

  elif (isinstance(max_pair_distance, int) and max_pair_distance <= 0):

    raise ValueError(

        "max_pair_distance must either be a positive integer or the string 'infinity'"

    )

  adj = rdmolops.GetAdjacencyMatrix(mol)

  # Handle edge case of self-pairs (i, i)

  sum_adj = np.eye(N)

  for i in range(max_pair_distance):

  for i in range(max_distance):

    # Increment by 1 since we don't want 0-indexing

    power = i + 1

    sum_adj += np.linalg.matrix_power(adj, power)

  num_pairs = pair_edges.shape[1]

  N_edges = pair_edges.shape[1]

  features = np.zeros((N_edges, bt_len + max_distance + 1))

  #if max_pair_distance == "infinity":

  #  features = np.zeros((N, N, bt_len + max_distance + 1))

  #else:

  # Get mapping

  mapping = {}

  for n in range(N_edges):

            features[n, bt_len] = 0

          else:

            features[n, bt_len] = 1

        #features[a1, ring, bt_len] = 1

        #features[a1, a1, bt_len] = 0.

    # graph distance between two atoms

    if graph_distance:

      # distance is a matrix of 1-hot encoded distances for all atoms

      np.stack([coords] * N, axis=1) - \

      np.stack([coords] * N, axis=0)), axis=2))

  #if max_pair_distance == "infinity":

  #  features = np.reshape(features, (N * N, bt_len + max_distance + 1))

  #  return features

  return features, pair_edges