pyiron/pyiron_atomistics

Indexing Atoms broken on __getitem__

Opened this issue · 0 comments

pmrv commented
s = Atoms(...)
s[0]

triggers the exception below. Setting values is unaffected.

File ~/software/pyiron_atomistics/pyiron_atomistics/atomistics/structure/atoms.py:2122, in Atoms.__getitem__(self, item)
   2112     return Atom(
   2113         element=element,
   2114         position=position,
   (...)
   2118         **new_dict,
   2119     )
   2121 new_array = super(Atoms, self).__getitem__(item)
-> 2122 new_array.dimension = self.dimension
   2123 if isinstance(item, tuple):
   2124     item = list(item)

AttributeError: 'Atom' object has no attribute 'dimension'