Struct Expanded 

pub struct Expanded<F> {
    pub f: F,
    pub delta: f64,
}

Expand another potential.

U(r) = f(r - \delta)

Example

Expanded Lennard-Jones:

use approxim::{assert_abs_diff_eq, assert_relative_eq};
use hoomd_interaction::univariate::{
    Expanded, LennardJones, UnivariateEnergy,
};

let epsilon = 1.5;
let sigma = 1.0;
let delta = 0.75;
let lj: LennardJones = LennardJones { epsilon, sigma };
let expanded_lj = Expanded { f: lj, delta };

assert_abs_diff_eq!(
    expanded_lj.energy(1.0),
    expanded_lj.f.energy(1.0 - 0.75)
);

Fields

f: F

The original potential.

delta: f64

$\delta$ value $[\mathrm{length}]$.

Trait Implementations

impl<F: Clone> Clone for Expanded<F>

fn clone(&self) -> Expanded<F>

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<F: Debug> Debug for Expanded<F>

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

Formats the value using the given formatter.

impl<F> Default for Expanded<F>

where F: Default,

fn default() -> Self

Construct a shifted potential with default parameters

The defaults are: f = F::default() delta = 0.0

impl<'de, F> Deserialize<'de> for Expanded<F>

where F: Deserialize<'de>,

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<F: PartialEq> PartialEq for Expanded<F>

fn eq(&self, other: &Expanded<F>) -> 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<F> Serialize for Expanded<F>

where F: Serialize,

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl<F: UnivariateEnergy> UnivariateEnergy for Expanded<F>

fn energy(&self, r: f64) -> f64

Compute the energy as a function of one variable.

impl<F: UnivariateForce> UnivariateForce for Expanded<F>

fn force(&self, r: f64) -> f64

Compute force as a function of one variable.

impl<F> StructuralPartialEq for Expanded<F>