Struct Atom 

pub struct Atom {
    pub atomic_number: u8,
    pub position: [f64; 3],
}

A concrete representation of an atom with atomic number and position.

This struct provides a simple, owned implementation of the AtomView trait. It can be used directly for basic atom representations or as a building block for more complex atom types that include additional properties like velocities or forces.

Fields

atomic_number: u8

The atomic number of the atom, identifying its chemical element.

position: [f64; 3]

The 3D position of the atom in Cartesian coordinates.

Trait Implementations

impl AtomView for Atom

fn atomic_number(&self) -> u8

Returns the atomic number of the atom.

fn position(&self) -> [f64; 3]

Returns the 3D position of the atom in Cartesian coordinates.

impl Clone for Atom

fn clone(&self) -> Atom

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Atom

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

Formats the value using the given formatter.

impl PartialEq for Atom

fn eq(&self, other: &Atom) -> 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 Copy for Atom

impl StructuralPartialEq for Atom