Struct EnsembleBlock 

pub struct EnsembleBlock { /* private fields */ }

The positions of several models of one dense ensemble, model-major.

Implementations

impl EnsembleBlock

pub const fn models(&self) -> usize

Models in the block.

pub const fn atoms(&self) -> usize

Atoms in every model.

pub fn as_flat(&self) -> &[f32]

models * atoms * 3 values: model, then atom, then axis.

pub fn into_flat(self) -> Vec<f32>

Hands the buffer over without copying it.

pub fn model(&self, index: usize) -> Option<&[[f32; 3]]>

One model’s positions.

Trait Implementations

impl Clone for EnsembleBlock

fn clone(&self) -> Self

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for EnsembleBlock

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

Formats the value using the given formatter.

impl PartialEq for EnsembleBlock

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for EnsembleBlock