spindry.Bond

class spindry.Bond(id, atom_ids)

Bases: object

Bond between two atoms.

Parameters:

• id (int) – ID to be assigned to bond.

• atom_ids (tuple[int, int]) – IDs of atom 1 and atom 2 in bond, where atom 1 is always the smaller number and the IDs cannot be the same.

Methods

get_atom1_id	Get ID of atom 1 in bond.
get_atom2_id	Get ID of atom 2 in bond.
get_id	Get bond ID.

Attributes

id
atom_ids

get_atom1_id()

Get ID of atom 1 in bond.

Return type:

int

get_atom2_id()

Get ID of atom 2 in bond.

Return type:

int

get_id()

Get bond ID.

Return type:

int

atom_ids: tuple[int, int]

id: int