Struct ParticleFrame 

pub struct ParticleFrame {
    pub timestep: u64,
    pub n_particles: usize,
    pub positions: Vec<[f32; 3]>,
    pub velocities: Option<Vec<[f32; 3]>>,
    pub types: Vec<u8>,
}

A single snapshot of a particle system at a given time-step.

Fields

timestep: u64

Integer time-step index.

n_particles: usize

Number of particles (redundant with positions.len() but convenient).

positions: Vec<[f32; 3]>

Positions of each particle [x, y, z] in simulation units.

velocities: Option<Vec<[f32; 3]>>

Velocities of each particle [vx, vy, vz], if present.

types: Vec<u8>

Integer type/species identifier for each particle.

Implementations

impl ParticleFrame

pub fn new(timestep: u64, positions: Vec<[f32; 3]>, types: Vec<u8>) -> Self

Create a new frame with positions and types.

velocities is set to None; fill it manually if needed.

pub fn from_positions(timestep: u64, positions: Vec<[f32; 3]>) -> Self

Create a frame where all particles have type 0 and no velocities.

pub fn center_of_mass(&self) -> [f32; 3]

Centre of mass (unweighted, equal masses assumed).

Returns [0.0; 3] for an empty frame.

pub fn bounding_box(&self) -> ([f32; 3], [f32; 3])

Axis-aligned bounding box (min, max). Returns ([0;3],[0;3]) if empty.

Trait Implementations

impl Clone for ParticleFrame

fn clone(&self) -> ParticleFrame

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ParticleFrame

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

Formats the value using the given formatter.

impl Default for ParticleFrame

fn default() -> ParticleFrame

Returns the “default value” for a type.