Struct chemrust_core::data::atom::AtomCollections

pub struct AtomCollections { /* private fields */ }

Struct of Array style, memory allocation is continuous when modifying the same attribute for all atoms.

Implementations

impl AtomCollections

pub fn new(size: usize) -> Self

pub fn symbols(&self) -> &[String]

pub fn atomic_numbers(&self) -> &[u8]

pub fn cartesian_coords(&self) -> &[Point3<f64>]

pub fn indexes(&self) -> &[usize]

pub fn get_atom_at(&self, index: usize) -> Option<Atom>

Retrieve an Atom at given 0th-based index.

pub fn size(&self) -> usize

Trait Implementations

impl Clone for AtomCollections

fn clone(&self) -> AtomCollections

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for AtomCollections

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

Formats the value using the given formatter.

impl From<&[Atom]> for AtomCollections

Conversion from &[Atom] to AtomCollections

fn from(value: &[Atom]) -> Self

Converts to this type from the input type.

impl From<AtomCollections> for Vec<Atom>

Conversion from AtomCollections to Vec<Atom>

fn from(value: AtomCollections) -> Self

Converts to this type from the input type.

impl From<Vec<Atom>> for AtomCollections

Conversion from Vec<Atom> to AtomCollections

fn from(value: Vec<Atom>) -> Self

Converts to this type from the input type.

impl PartialEq for AtomCollections

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

This method tests for self and other values to be equal, and is used by ==.

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

This method tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl PartialOrd for AtomCollections

fn partial_cmp(&self, other: &AtomCollections) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

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

This method tests less than (for self and other) and is used by the < operator.

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

This method tests less than or equal to (for self and other) and is used by the <= operator.

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

This method tests greater than (for self and other) and is used by the > operator.

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

This method tests greater than or equal to (for self and other) and is used by the >= operator.

impl StructuralPartialEq for AtomCollections