chemcoord.Cartesian.fragmentate

Cartesian.fragmentate(give_only_index=False, use_lookup=None)

Get the indices of non bonded parts in the molecule.

Parameters:

• give_only_index (bool) – If True a set of indices is returned. Otherwise a new Cartesian instance.
• use_lookup (bool) – Use a lookup variable for get_bonds().
• use_lookup – Use a lookup variable for get_bonds(). The default is specified in settings['defaults']['use_lookup']

Returns:

A list of sets of indices or new Cartesian instances.

Return type:

list