Consistent dunder methods for all complexes #378
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With this pull request, the dunder methods
__contains__
,__iter__
and__getitem__
work consistently across all complex types now:atom in complex
works for any atom now. Previously, depending on the complex class, this was only possible for nodes. Closes Inconsistencies in__contains__
implementation across complex types #273.complex.nodes
property.complex[atom]
is implemented consistently to return the user-defined attributes for that atom. Previously, depending on the complex class, this returned the neighbours of the atom. There are other means to access the neighbours, which may also take into account different notions of neighbourhood. Closes Inconsistencies in__getitem__
implementation across complex types #270.