connected_to¶
-
Cartesian.
connected_to
(index_of_atom, exclude=None, give_only_index=False, follow_bonds=None)[source]¶ - Returns a Cartesian of atoms connected to the specified
- one.
Connected means that a path along covalent bonds exists.
Parameters: - index_of_atom (int) –
- exclude (list) – Indices in this list are omitted.
- give_only_index (bool) – If
True
a set of indices is returned. Otherwise a new Cartesian instance. - follow_bonds (int) – This option determines how many
branches the algorithm follows. If
None
it stops after reaching the end in every branch. If you have a single molecule this usually means, that the whole molecule is recovered.
Returns: A set of indices or a new Cartesian instance.