struct

Chem::Improper

Inherits Chem::Connectivity / Comparable / Struct / Value / Object

An Improper provides a canonical representation of an improper dihedral angle between four bonded atoms.

An improper dihedral angle is defined by three bonds around a central atom:

A       C
  \   /
    B
    |
    D

It measures the angle between the two planes defined by the atoms (A,B,C) and (C,B,D).

Constructors

new(a1 : Atom, a2 : Atom, a3 : Atom, a4 : Atom)

Creates a new Improper with the given atoms.

Source

Instance methods

measure

Returns the current value of the improper dihedral angle in radians.

Source