Struct lumol::Particle

pub struct Particle {
    pub name: String,
    pub kind: ParticleKind,
    pub charge: f64,
    pub mass: f64,
    pub position: Vector3D,
    pub velocity: Vector3D,
}

The Particle type hold basic data about a particle in the system. It is self contained, so that it will be easy to send data between parallels processes.

Fields

name: String

Particle name.

kind: ParticleKind

Particle kind, an index for potentials lookup

charge: f64

Particle charge

mass: f64

Particle mass

position: Vector3D

Particle positions

velocity: Vector3D

Particle velocity, if needed

Implementations

impl Particle

pub fn new<S>(name: S) -> Particle where
    S: Into<String>, 

Create a new Particle from a name, setting the mass to the atomic mass if the name can be found in the periodic table. The charge, position, and velocity are set to 0.

pub fn with_position<S>(name: S, position: Vector3D) -> Particle where
    S: Into<String>, 

Create a new Particle from a name and a position, setting the mass to the atomic mass if the name can be found in the periodic table. The charge and velocity are set to 0.

impl Particle

pub fn as_ref(&self) -> ParticleRef<'_>

Create a ParticleRef from a borrowed Particle .

pub fn as_mut(&mut self) -> ParticleRefMut<'_>

Create a ParticleRefMut from a mutably borrowed Particle .

Trait Implementations

impl Clone for Particle

pub fn clone(&self) -> Particle

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for Particle

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

Formats the value using the given formatter.

impl<'a> From<&'a Atom> for Particle

pub fn from(atom: &'a Atom) -> Particle

Performs the conversion.

impl FromIterator<Particle> for ParticleVec

pub fn from_iter<T>(iter: T) -> ParticleVec where
    T: IntoIterator<Item = Particle>, 

Creates a value from an iterator.

impl StructOfArray for Particle

type Type = ParticleVec