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Bond can be created of an atom to itself #812

@padix-key

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@padix-key

Currently you can add a bond to BondList, that connects an atom with itself. This should never be possible.

Tangentially, pdbx.set_structure() does not check atom uniqueness when writing the chem_comp_bond category: If an AtomArray connects two atoms that are equal in all annotations relevant for chem_comp_bond, The resulting chem_comp_bond category will contain a self-bond for these two atoms.

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