Improper

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

Bases: sknano.core.atoms.mixins.AngularTopology

Class representation of improper angle between 4 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 Atom 1 in Improper.
atom2 Atom 2 in Improper.
atom3 Atom 3 in Improper.
atom4 Atom 4 in Improper.
atom_ids Topology.atoms ids.
atoms Atoms in TopologyCollection.
centroid centroid of Topology.atoms.
fmtstr Format string.
improper An alias for Topology.measure.
measure Measure of topology.
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 Atom 1 in Improper.
atom2 Atom 2 in Improper.
atom3 Atom 3 in Improper.
atom4 Atom 4 in Improper.
improper An alias for Topology.measure.

Methods Summary

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

Attributes Documentation

atom1

Atom 1 in Improper.

atom2

Atom 2 in Improper.

atom3

Atom 3 in Improper.

atom4

Atom 4 in Improper.

improper

An alias for Topology.measure.

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.