Struct Nuclide::Nuclide

pub struct Nuclide { /* private fields */ }

Efficient representation of nuclide

Implementations

impl Nuclide

pub fn new(input: &str) -> Option<Nuclide>

Initializes a new Nuclide from a string representation. Currently the input must be of the form {Symbol}-{Nucleon count}

        use ::Nuclide::Nuclide;
        use ::Nuclide::Atom;
          
        let u235 = Nuclide::new("U-235").unwrap();
        assert_eq!(u235.to_string(),"U-235");

Examples found in repository

examples/standard_atomic_mass.rs (line 19)

fn main(){
let hydro = vec![Nuclide::new("H-1").unwrap(), Nuclide::new("H-2").unwrap(), Nuclide::new("H-3").unwrap()];
let distr = vec![0.9998,0.000156,1E-18];
 println!("The standard atomic mass of hydrogen is {:?} ", standard_atomic_mass(&hydro[..], &distr[..]));

}

examples/molecule.rs (line 30)

fn main(){
  
  let protium = Nuclide::new("H-1").unwrap();
  let deuterium = Nuclide::new("H-2").unwrap();
  let tritium = Nuclide::new("H-3").unwrap();
  let oxy = Nuclide::new("O-16").unwrap();
  let h_oxy = Nuclide::new("O-18").unwrap(); 
  
  let potable = Water::new(oxy, protium, protium);
  let hdo = Water::new(oxy, deuterium, protium);
  let heavy_water = Water::new(oxy, deuterium, deuterium);
  let tritiated_water = Water::new(oxy, tritium, tritium);
  let super_heavy_water = Water::new(h_oxy, deuterium, deuterium);

  println!("Some masses of different types of \"water\" \n ");
  println!("Regular water H2O : {} daltons", potable.mass());
  println!("Semi-heavy water HDO : {} daltons", hdo.mass());
  println!("heavy water D2O : {} daltons", heavy_water.mass());
  println!("Tritiated water T2O : {} daltons", tritiated_water.mass());
  println!("Super heavy water D2O-18 : {} daltons", super_heavy_water.mass());

}

pub fn from_nucleons_unchecked(z: usize, n: usize) -> Self

In : proton, neutron Out: Nuclide

pub fn from_nucleons(z: usize, n: usize) -> Option<Self>

In: proton, neutron

None

Returns None if the Nuclide doesn’t exist

pub fn assign(idx: usize) -> Self

Construct a nuclide from the unique index. Avoid direct use as no checks are performed to ensure that it is valid

pub fn change(&mut self, idx: usize)

Transforms a nuclide from the unique index.

pub fn create(z: usize, n: usize) -> (f64, f64)

Returns the approximate mass and binding energy of a nuclide, theorectical or real, using the Bethe-Weizacker liquid-drop approximation.

pub fn nuclide_index(&self) -> usize

Returns the underlying unique value. Can be used in conjunction with “assign” and “change” to rapidly create or convert nuclides without decay

pub fn isotope(&self) -> (usize, usize)

Returns the atomic number and the nucleon count

pub fn element_name(&self) -> String

Returns the element name.

pub fn proton_neutron(&self) -> (usize, usize)

Returns the proton and neutron count

pub fn neutron_separation(&self) -> f64

Approximate neutron separation energy

pub fn proton_separation(&self) -> f64

Approximate proton separation energy

pub fn isotope_list(&self) -> Vec<Self>

returns a vector of all isotopes of the element

pub fn mirror(&self) -> Option<Self>

Returns the nuclide (if it exists) that has swapped proton-neutron count

pub fn list() -> Vec<Self>

Produces a vector of all nuclides sorted by atomic number, e.g all hydrogen isotopes, all helium isotopes, …

pub fn isobar_list(&self) -> Vec<Self>

Produces a list of all nuclides that share the same atomic number as the selected nuclide

pub fn isotone_list(&self) -> Vec<Self>

Produces a list of nuclides that share the same number of neutrons

pub fn branching_ratio<T: DecayMode>(&self) -> f64

Probability of the provided Decay mode being taken

NAN

If Decay Mode is not observed return NAN

pub fn daughter_theoretical<T: DecayMode>(&self) -> Option<Self>

Returns the daughter nuclide, regardless of whether it has been observed

None

If the decay result is not a known nuclide, returns None

pub fn decay_probability<T: DecayMode>(&self, time: f64) -> f64

Trait Implementations

impl Atom for Nuclide

fn am(&self) -> f64

Returns the atomic mass in daltons

fn am_kg(&self) -> f64

Returns the atomic mass in kilograms

fn mass_deficit_ev(&self) -> f64

Mass deficit as MeV

fn binding_energy(&self) -> f64

Returns the binding energy. Utilizing the mass model

fn spin_parity(&self) -> (i8, i8)

Returns the isospin and parity in the form of a i8 pair, one of which is negatively signed for - parity

fn electron_affinity(&self) -> f64

Returns electron affinity

fn ionization_energies(&self, level: usize) -> Option<f64>

Returns the ionization energies for all known levels. Values are in kj/mol.

fn electronegativity(&self) -> f64

Returns the thermochemical electronegativity as calculated by Oganov and Tantardini. Currently the best predictor of experimental values

fn mullikan_en(&self) -> f64

Returns the Mullikan, or absolute, electronegativity in kj/mol

fn allen_en(&self) -> f64

Allen Electronegativity

fn pauling_en(&self) -> f64

Pauling Electronegativity. A poor fit for experimental values, however it is here for completeness

fn covalent_radii(&self, bond: usize) -> Option<f64>

Radius in Single-double-and-triple covalent bonds

fn ionic_radii(&self) -> f64

ionic radii

fn vdr_crystal(&self) -> f64

Returns the Van Der Waal radius in crystalline structures. Values are in meters.

fn vdr_isolated(&self) -> f64

Returns the Van Der Waal radius of isolated atoms

fn half_life<T: DecayMode>(&self) -> f64

Half-life in seconds

fn decay_constant<T: DecayMode>(&self) -> f64

Approximation of decay constant

fn decay_time<T: DecayMode>(&self, time: f64) -> bool

Returns true if the nuclide would have decayed in the time given. The nuclide remains unchanged

fn decay_mode(&self) -> String

Returns the probable decay modes as a string

fn decay_q<T: DecayMode>(&self) -> f64

Q-value (total energy) of a nuclear decay, regardless of whether it is observed

NAN

Returns NAN if this decay mode results in a nonexistent nuclide

fn decay<T: DecayMode>(&mut self, time: f64) -> (f64, Vec<Particle>)

Returns the name and isotope number of the nuclide

use ::Nuclide::{Atom,Nuclide};
use ::Nuclide::decay::TotalDecay;
let mut uranium = Nuclide::new("U-238").unwrap();

// total particle energy of the nuclide and vector of decay particles
let (particle_energy,particle_vector) = uranium.decay::<TotalDecay>(5E+20);

 // final nuclide in the U-238 decay series
 assert_eq!(uranium.to_string(), "Pb-206");

fn atomic_num(&self) -> u64

Atomic number

fn mass_deficit(&self) -> f64

Mass defect or the difference between the empirical mass and the mass of the constituents, in Daltons

fn mass_deficit_kg(&self) -> f64

fn mass_deficit_j(&self) -> f64

Mass defect in Joules

fn binding_energy_j(&self) -> f64

fn electron_affinity_ev(&self) -> f64

Electron affinity in MeV

fn ionization_energies_ev(&self, level: usize) -> Option<f64>

Returns the ionization energies for all known levels. Values are in MeV

fn mean_lifetime<T: DecayMode>(&self) -> f64

The mean lifetime of nuclide/isomer

fn decay_probability<T: DecayMode>(&self, time: f64) -> f64

Returns the probability of the nuclide to decay after the time in seconds provided

fn daughter_energetic<T: DecayMode>(&mut self) -> (f64, Vec<Particle>)

fn daughter<T: DecayMode>(&self) -> Option<Self>

Returns the daughter nuclide

impl Clone for Nuclide

fn clone(&self) -> Nuclide

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for Nuclide

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

Formats the value using the given formatter.

impl Display for Nuclide

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

Formats the value using the given formatter.

impl Hash for Nuclide

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, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl PartialEq<Nuclide> for Nuclide

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

impl Eq for Nuclide

impl StructuralEq for Nuclide

impl StructuralPartialEq for Nuclide