Get the indices of the atoms in a fragment.
- The list_of_indextuples contains all bondings from the
- molecule to the fragment.
[(1,3), (2,4)]means for example that the fragment is connected over two bonds. The first bond is from atom 1 in the molecule to atom 3 in the fragment. The second bond is from atom 2 in the molecule to atom 4 in the fragment.
- list_of_indextuples (list) –
- give_only_index (bool) – If
Truea set of indices is returned. Otherwise a new Cartesian instance.
A set of indices or a new Cartesian instance.