Bond

class Bond(atom1_id, atom2_id, order)[source]

Bases: object

A bond of a Molecule.

Parameters:
  • atom1_id (int) – The id of the first atom of the bond.
  • atom1_id – The id of the second atom of the bond.
  • order (int) – The order of the bond.

Methods

get_atom1_id() Return the id of the first atom of the bond.
get_atom2_id() Return the id of the second atom of the bond.
get_atom_ids() Yield the ids of the atoms of the bond.
get_order() Return the bond order.
get_atom1_id()[source]

Return the id of the first atom of the bond.

Returns:The id of the first atom of the bond.
Return type:int
get_atom2_id()[source]

Return the id of the second atom of the bond.

Returns:The id of the second atom of the bond.
Return type:int
get_atom_ids()[source]

Yield the ids of the atoms of the bond.

Yields:int – An atom id.
get_order()[source]

Return the bond order.

Returns:The bond order.
Return type:int