Struct Frame 

pub struct Frame {
    pub x: Vec<f32>,
    pub y: Vec<f32>,
    pub z: Vec<f32>,
    pub cell: Option<UnitCell>,
    pub time: Option<f64>,
}

Single frame of coordinates — topology-free.

Stores Cartesian coordinates as parallel arrays (SoA layout). Optional fields are None when not relevant (e.g. non-periodic systems have no cell; single-structure files have no time).

Fields

x: Vec<f32>

X coordinates (Å), one per atom.

y: Vec<f32>

Y coordinates (Å), one per atom.

z: Vec<f32>

Z coordinates (Å), one per atom.

cell: Option<UnitCell>

Periodic box parameters, or None for non-periodic systems.

time: Option<f64>

Simulation time in picoseconds, or None if not applicable.

Trait Implementations

impl Clone for Frame

fn clone(&self) -> Frame

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Frame

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

Formats the value using the given formatter.