Struct DihedralPotential 

pub struct DihedralPotential {
    pub i: usize,
    pub j: usize,
    pub k: usize,
    pub l: usize,
    pub v_barrier: f64,
    pub periodicity: i32,
    pub phase_offset: f64,
}

Proper dihedral (torsion) potential.

Fields

i: usize

First atom index.

j: usize

Second atom index (bond axis).

k: usize

Third atom index (bond axis).

l: usize

Fourth atom index.

v_barrier: f64

Barrier height (kcal/mol).

periodicity: i32

Periodicity (number of minima in 360°).

phase_offset: f64

Phase offset (degrees).

Trait Implementations

impl Clone for DihedralPotential

fn clone(&self) -> DihedralPotential

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for DihedralPotential

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl PartialEq for DihedralPotential

fn eq(&self, other: &DihedralPotential) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for DihedralPotential