mofchecker
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CLI complains about bridges
... 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