Struct Atom 

pub struct Atom { /* private fields */ }

Implementations

impl Atom

pub fn position(&self) -> Array1<f64>

pub fn norb(&self) -> usize

pub fn atom_type(&self) -> AtomType

pub fn push_orb(&mut self)

pub fn remove_orb(&mut self)

pub fn change_type(&mut self, new_type: AtomType)

pub fn new(position: Array1<f64>, atom_list: usize, name: AtomType) -> Atom

Trait Implementations

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<'de> Deserialize<'de> for Atom

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for Atom

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

Formats the value using the given formatter.

impl Serialize for Atom

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.