Bond

class sknano.core.atoms.mixins.Bond(*args, order=None, **kwargs)

Bases: sknano.core.atoms.mixins.Topology

Class representation of bond between 2 Atom objects.

Parameters:

• end (origin,) –
• parent (Parent Molecule, if any.) –
• id (int) –
• order ({1, 2, 3, 5}) –

Attributes

atom1	An alias for origin.
atom2	An alias for end.
atom_ids	Topology.atoms ids.
atoms	Atoms in TopologyCollection.
bond	An alias for TopologyCollection.measure.
centroid	centroid of Topology.atoms.
end	Atom 2 in Bond.
fmtstr	Format string.
length	An alias for TopologyCollection.measure.
measure	Measure of topology.
order	Bond order.
origin	Atom 1 in Bond.
strain	Strain in measure.
unit_vector	Bond unit_vector.
vector	Bond Vector.

Methods

compute_measure()	Bond length.
compute_strain(m0)	Compute topological strain in Topology.measure.
partner(atom)	Return Atom bonded to atom.
rotate(**kwargs)	Rotate the Topology by rotating the atoms.
todict()	Return dict of constructor parameters.

Attributes Summary

atom1	An alias for origin.
atom2	An alias for end.
bond	An alias for TopologyCollection.measure.
end	Atom 2 in Bond.
length	An alias for TopologyCollection.measure.
order	Bond order.
origin	Atom 1 in Bond.
unit_vector	Bond unit_vector.
vector	Bond Vector.

Methods Summary

compute_measure()	Bond length.
partner(atom)	Return Atom bonded to atom.
todict()	Return dict of constructor parameters.

Attributes Documentation

atom1

An alias for origin.

atom2

An alias for end.

bond

An alias for TopologyCollection.measure.

end

Atom 2 in Bond.

length

An alias for TopologyCollection.measure.

order

Bond order.

origin

Atom 1 in Bond.

unit_vector

Bond unit_vector.

vector

Bond Vector.

Bond Vector points from Bond.origin to Bond.end.

Note

Accounts for periodic boundary conditions if a Crystal3DLattice is assigned to the atoms.

Methods Documentation

compute_measure()

Bond length.

partner(atom)

Return Atom bonded to atom.

todict()

Return dict of constructor parameters.