# pymatgen.core.bonds module¶

class CovalentBond(site1, site2)[source]

Bases: object

Defines a covalent bond between two sites.

Initializes a covalent bond between two sites.

Parameters: site1 (Site) – First site. site2 (Site) – Second site.
static is_bonded(site1, site2, tol=0.2, bond_order=None)[source]

Test if two sites are bonded, up to a certain limit.

Parameters: site1 (Site) – First site site2 (Site) – Second site tol (float) – Relative tolerance to test. Basically, the code checks if the distance between the sites is less than (1 + tol) * typical bond distances. Defaults to 0.2, i.e., 20% longer. bond_order – Bond order to test. If None, the code simply checks against all possible bond data. Defaults to None. Boolean indicating whether two sites are bonded.
length

Length of the bond.

get_bond_length(sp1, sp2, bond_order=1)[source]

Get the bond length between two species.

Parameters: sp1 (Specie) – First specie. sp2 (Specie) – Second specie. bond_order – For species with different possible bond orders, this allows one to obtain the bond length for a particular bond order. For example, to get the C=C bond length instead of the C-C bond length, this should be set to 2. Defaults to 1. Bond length in Angstrom. If no data is available, the sum of the atomic radii is used.