Angle

class sknano.core.atoms.Angle(*args, **kwargs)

Bases: sknano.core.atoms.mixins.AngularTopology

Class representation of bond angle between 3 Atom objects.

Parameters:

• *atoms –

  list of Atoms or an Atoms object.

• size (int) –
• parent (Parent Molecule, if any.) –
• id (int) –
• check_operands (bool, optional) –
• degrees (bool, optional) –

Raises:

• TypeError – if atoms is not a list of Atom objects or an Atoms object.
• ValueError – if len(atoms) != 3.

Attributes

angle	An alias for Topology.measure.
atom1	An alias for lneighbor.
atom2	An alias for center.
atom3	An alias for rneighbor.
atom_ids	Topology.atoms ids.
atoms	Atoms in TopologyCollection.
bond_pairs	tuple of Angle Angle.lbond, Angle.rbond.
center	Atom 2 in Angle.
centroid	centroid of Topology.atoms.
fmtstr	Format string.
lbond	Bond from center -> lneighbor.
lneighbor	Atom 1 in Angle.
measure	Measure of topology.
rbond	Bond from center -> rneighbor.
rneighbor	Atom 3 in Angle.
strain	Strain in measure.

Methods

compute_measure()	Compute the bond angle, which is the measure of an Angle.
compute_strain(m0)	Compute topological strain in Topology.measure.
rotate(**kwargs)	Rotate the Topology by rotating the atoms.
todict()	Return dict of constructor parameters.

Attributes Summary

atom1	An alias for lneighbor.
atom2	An alias for center.
atom3	An alias for rneighbor.
bond_pairs	tuple of Angle Angle.lbond, Angle.rbond.
center	Atom 2 in Angle.
lbond	Bond from center -> lneighbor.
lneighbor	Atom 1 in Angle.
rbond	Bond from center -> rneighbor.
rneighbor	Atom 3 in Angle.

Methods Summary

compute_measure()	Compute the bond angle, which is the measure of an Angle.
todict()	Return dict of constructor parameters.

Attributes Documentation

atom1

An alias for lneighbor.

atom2

An alias for center.

atom3

An alias for rneighbor.

bond_pairs

tuple of Angle Angle.lbond, Angle.rbond.

center

Atom 2 in Angle.

lbond

Bond from center -> lneighbor.

lneighbor

Atom 1 in Angle.

rbond

Bond from center -> rneighbor.

rneighbor

Atom 3 in Angle.

Methods Documentation

compute_measure()

Compute the bond angle, which is the measure of an Angle.

Returns: Return type:float

todict()

Return dict of constructor parameters.