struct

Chem::Dihedral

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

A Dihedral provides a canonical representation of a dihedral angle between four bonded atoms.

A dihedral angle is defined by three contiguous bonds:

A       C
  \   /   \
    B      D

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

Constructors

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

Creates a new Dihedral with the given atoms.

Source

Instance methods

measure

Returns the current value of the dihedral angle in radians.

Source