CLI complains about bridges

[kjappelbaum]

... not being implemented for multigraph

[
Traceback (most recent call last):
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/bin/mofchecker", line 33, in <module>
    sys.exit(load_entry_point('mofchecker', 'console_scripts', 'mofchecker')())
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/lib/python3.8/site-packages/click/core.py", line 1128, in __call__
    return self.main(*args, **kwargs)
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/lib/python3.8/site-packages/click/core.py", line 1053, in main
    rv = self.invoke(ctx)
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/lib/python3.8/site-packages/click/core.py", line 1395, in invoke
    return ctx.invoke(self.callback, **ctx.params)
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/lib/python3.8/site-packages/click/core.py", line 754, in invoke
    return __callback(*args, **kwargs)
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/cli.py", line 37, in run
    descriptors = mofchecker.get_mof_descriptors(descriptors=descriptors)
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/__init__.py", line 530, in get_mof_descriptors
    result_dict = OrderedDict(
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/__init__.py", line 531, in <genexpr>
    ((descriptor, getattr(self, descriptor)) for descriptor in descriptors)
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/__init__.py", line 212, in decorated_scaffold_hash
    _, g = self._scaffold_graphs()
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/__init__.py", line 395, in _scaffold_graphs
    sg, g = get_structure_graph_with_broken_bridges(self._graph)
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/graph/__init__.py", line 81, in get_structure_graph_with_broken_bridges
    bridges = _generate_bridges(g)
  File "/Users/kevinmaikjablonka/git/kjappelbaum/mofchecker/src/mofchecker/graph/__init__.py", line 117, in _generate_bridges
    bridges = list(nx.bridges(nx_graph))
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/lib/python3.8/site-packages/networkx/utils/decorators.py", line 811, in func
    yield from argmap._lazy_compile(__wrapper)(*args, **kwargs)
  File "<class 'networkx.utils.decorators.argmap'> compilation 5", line 4, in argmap_bridges_1
  File "/Users/kevinmaikjablonka/miniconda3/envs/mofdscribe/lib/python3.8/site-packages/networkx/utils/decorators.py", line 86, in _not_implemented_for
    raise nx.NetworkXNotImplemented(errmsg)
networkx.exception.NetworkXNotImplemented: not implemented for multigraph type

[kjappelbaum]

apparently it should have been

def get_structure_graph_with_broken_bridges(
    structure_graph: StructureGraph,
) -> Tuple[StructureGraph, nx.Graph]:
    """
    Returns a StructureGraph without the small subgraphs one obtains after breaking edges.
    """
    g = nx.DiGraph(deepcopy(structure_graph.graph)).to_undirected()

need to empirically check how much of a deal this is

[kjappelbaum]

I'm not sure how much this is an issue anymore ... if it does not appear on another larger-scale screening, then let's ignore this issue