Angle

class sknano.core.atoms.mixins.Angle(*args, **kwargs)[source] [edit on github][source]

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:

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()[source] [edit on github][source]

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

Returns:
Return type:float
todict()[source] [edit on github][source]

Return dict of constructor parameters.