Struct feroxide::Atom

pub struct Atom {
    pub number: AtomNumber,
    pub group: AtomGroup,
    pub symbol: &'static str,
    pub name: &'static str,
    pub mass: AtomMass,
    pub diatomic: bool,
}

An atom

Fields

number: AtomNumber

Atom Number (Hydrogen: 1)

group: AtomGroup

Atom Group (Hydrogen: 1)

symbol: &'static str

Atom symbol (Hydrogen: H)

name: &'static str

Atom name (Hydrogen: hydrogen)

mass: AtomMass

Atom mass (Hydrogen: 1.008)

diatomic: bool

Methods

impl Atom

fn from_string(symbol: String) -> Option<Atom>

Convert a string representation to an Atom

fn charge_by_group(&self) -> Option<AtomCharge>

Get the charge an atom has based on its group

Trait Implementations

impl Debug for Atom

fn fmt(&self, __arg_0: &mut Formatter) -> Result

Formats the value using the given formatter.

impl Clone for Atom

fn clone(&self) -> Atom

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Eq for Atom

impl PartialEq for Atom

fn eq(&self, rhs: &Atom) -> bool

Two Atoms are equal when their atom numbers are equal

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

This method tests for !=.

impl Hash for Atom

fn hash<H: Hasher>(&self, state: &mut H)

Feeds this value into the given [Hasher].

fn hash_slice<H>(data: &[Self], state: &mut H) where
    H: Hasher, 

Feeds a slice of this type into the given [Hasher].

impl Properties for Atom

fn symbol(&self) -> String

Get the symbol of the current item

fn name(&self) -> String

Get the name of the current item

fn mass(&self) -> AtomMass

Get the mass of the current item

fn stringify(&self) -> String

Stringify the current item (default: self.symbol())

impl Display for Atom

fn fmt(&self, formatter: &mut Formatter) -> Result

Formats the value using the given formatter.