IndexError: list index out of range (frag/network/decorate.py:225)

[alanbchristie]

While testing an experimental stack and querying the graph database I stumbled upon a number of IndexError exceptions in the decorate.py module. Full stack trace: -

Internal Server Error: /api/vector/194/
Traceback (most recent call last):
  File "/usr/local/lib/python3.7/dist-packages/django/core/handlers/exception.py", line 47, in inner
    response = get_response(request)
  File "/usr/local/lib/python3.7/dist-packages/django/core/handlers/base.py", line 179, in _get_response
    response = wrapped_callback(request, *callback_args, **callback_kwargs)
  File "/usr/local/lib/python3.7/dist-packages/django/views/decorators/csrf.py", line 54, in wrapped_view
    return view_func(*args, **kwargs)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/viewsets.py", line 114, in view
    return self.dispatch(request, *args, **kwargs)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/views.py", line 505, in dispatch
    response = self.handle_exception(exc)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/views.py", line 465, in handle_exception
    self.raise_uncaught_exception(exc)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/views.py", line 476, in raise_uncaught_exception
    raise exc
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/views.py", line 502, in dispatch
    response = handler(request, *args, **kwargs)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/mixins.py", line 56, in retrieve
    return Response(serializer.data)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/serializers.py", line 562, in data
    ret = super().data
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/serializers.py", line 260, in data
    self._data = self.to_representation(self.instance)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/serializers.py", line 529, in to_representation
    ret[field.field_name] = field.to_representation(attribute)
  File "/usr/local/lib/python3.7/dist-packages/rest_framework/fields.py", line 1905, in to_representation
    return method(value)
  File "/code/viewer/serializers.py", line 380, in get_vectors
    out_data["indices"] = get_vect_indices_for_mol(obj.sdf_info)
  File "/usr/local/lib/python3.7/dist-packages/frag/network/decorate.py", line 101, in get_vect_indices_for_mol
    tot_dict = del_link_coord(input_mol, get_indices=True, iso_labels=False)
  File "/usr/local/lib/python3.7/dist-packages/frag/network/decorate.py", line 161, in del_link_coord
    x, Chem.MolFromMolBlock(input_mol), get_indices, ring_iso[i]
  File "/usr/local/lib/python3.7/dist-packages/frag/network/decorate.py", line 238, in get_atom_coords
    ind_list = find_atom_pairs(smiles_input, get_indices, iso_smiles)
  File "/usr/local/lib/python3.7/dist-packages/frag/network/decorate.py", line 225, in find_atom_pairs
    isotope = int(iso_matches[i][:-2])
IndexError: list index out of range