[−]Struct lumol::Composition

pub struct Composition { /* fields omitted */ }

The system composition contains the number of particles of each kind in the system, as well as the number of molecules of each molecule type.

Implementations

`impl Composition`

`pub fn new() -> Composition`

Create a new empty composition

Examples

let composition = Composition::new();

// no particles
assert_eq!(composition.all_particles().count(), 0);

// no molecules
assert_eq!(composition.all_molecules().count(), 0);

`pub fn add_particle(&mut self, kind: ParticleKind)`

Add a particle with the given kind to the internal counter

Examples

let mut composition = Composition::new();

composition.add_particle(ParticleKind(3));
composition.add_particle(ParticleKind(3));

assert_eq!(composition.particles(ParticleKind(3)), 2);

`pub fn remove_particle(&mut self, kind: ParticleKind)`

Remove a particle with the given kind to the internal counter

Examples

let mut composition = Composition::new();

composition.add_particle(ParticleKind(3));
composition.add_particle(ParticleKind(3));

assert_eq!(composition.particles(ParticleKind(3)), 2);

composition.remove_particle(ParticleKind(3));

assert_eq!(composition.particles(ParticleKind(3)), 1);

`pub fn particles(&self, kind: ParticleKind) -> usize`

Get the number of particles with a given kind

Examples

let mut composition = Composition::new();

assert_eq!(composition.particles(ParticleKind(3)), 0);

composition.add_particle(ParticleKind(3));
composition.add_particle(ParticleKind(3));

assert_eq!(composition.particles(ParticleKind(3)), 2);

`pub fn all_particles( &'a self ) -> impl Iterator<Item = (ParticleKind, usize)> + 'a`

Get an iterator over the particles kind and count

Examples

let mut composition = Composition::new();

composition.add_particle(ParticleKind(10));
composition.add_particle(ParticleKind(4));
composition.add_particle(ParticleKind(4));

let mut iter = composition.all_particles();
assert_eq!(iter.next(), Some((ParticleKind(4), 2)));
assert_eq!(iter.next(), Some((ParticleKind(10), 1)));
assert_eq!(iter.next(), None);

`pub fn add_molecule(&mut self, hash: MoleculeHash)`

Add a molecule with the given moltype to the internal counter

Examples

// Getting a molecule hash
let he = Molecule::new(Particle::new("He")).hash();

let mut composition = Composition::new();
assert_eq!(composition.molecules(he), 0);

composition.add_molecule(he);
composition.add_molecule(he);

assert_eq!(composition.molecules(he), 2);

`pub fn remove_molecule(&mut self, hash: MoleculeHash)`

Add a molecule with the given moltype to the internal counter

Examples

// Getting a molecule hash
let he = Molecule::new(Particle::new("He")).hash();

let mut composition = Composition::new();
assert_eq!(composition.molecules(he), 0);

composition.add_molecule(he);
composition.add_molecule(he);

assert_eq!(composition.molecules(he), 2);

composition.remove_molecule(he);

assert_eq!(composition.molecules(he), 1);

`pub fn molecules(&self, hash: MoleculeHash) -> usize`

Get the number of particles with the given hash

Examples

// Getting some molecules hashes
let he = Molecule::new(Particle::new("He")).hash();

let ar = Molecule::new(Particle::new("Ar")).hash();

let mut n2 = Molecule::new(Particle::new("N"));
n2.add_particle_bonded_to(0, Particle::new("N"));
let n2 = n2.hash();

let mut composition = Composition::new();

composition.add_molecule(he);
composition.add_molecule(he);
composition.add_molecule(n2);

assert_eq!(composition.molecules(he), 2);
assert_eq!(composition.molecules(n2), 1);
assert_eq!(composition.molecules(ar), 0);

`pub fn all_molecules( &'a self ) -> impl Iterator<Item = (MoleculeHash, usize)> + 'a`

Get an iterator over the molecules hashes and count

Examples

let mut composition = Composition::new();
let he = Molecule::new(Particle::new("He")).hash();
let ar = Molecule::new(Particle::new("Ar")).hash();

composition.add_molecule(he);
composition.add_molecule(he);
composition.add_molecule(ar);

let mut iter = composition.all_molecules();
assert_eq!(iter.next(), Some((he, 2)));
assert_eq!(iter.next(), Some((ar, 1)));
assert_eq!(iter.next(), None);

Trait Implementations

`impl Clone for Composition`

`pub fn clone(&self) -> Composition`

`fn clone_from(&mut self, source: &Self)`1.0.0[src]

`impl Debug for Composition`

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

`impl Eq for Composition`

`impl PartialEq<Composition> for Composition`

`pub fn eq(&self, other: &Composition) -> bool`

`pub fn ne(&self, other: &Composition) -> bool`

`impl StructuralEq for Composition`

`impl StructuralPartialEq for Composition`

Auto Trait Implementations

`impl RefUnwindSafe for Composition`

`impl Send for Composition`

`impl Sync for Composition`

`impl Unpin for Composition`

`impl UnwindSafe for Composition`

Blanket Implementations

`impl<T> Any for T where T: 'static + ?Sized,` [src]

`pub fn type_id(&self) -> TypeId`[src]

`impl<T> Borrow<T> for T where T: ?Sized,` [src]

`pub fn borrow(&self) -> &T`[src]

`impl<T> BorrowMut<T> for T where T: ?Sized,` [src]

`pub fn borrow_mut(&mut self) -> &mut T`[src]

`impl<T> From<T> for T`[src]

`pub fn from(t: T) -> T`[src]

`impl<T, U> Into for T where U: From<T>,` [src]

`pub fn into(self) -> U`[src]

`impl<T> Pointable for T`

`pub const ALIGN: usize`

`type Init = T`

The type for initializers.

`pub unsafe fn init(init: <T as Pointable>::Init) -> usize`

`pub unsafe fn deref<'a>(ptr: usize) -> &'a T`

`pub unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T`

`pub unsafe fn drop(ptr: usize)`

`impl<T> ToOwned for T where T: Clone,` [src]

`type Owned = T`

The resulting type after obtaining ownership.

`pub fn to_owned(&self) -> T`[src]

`pub fn clone_into(&self, target: &mut T)`[src]

`impl<T, U> TryFrom for T where U: Into<T>,` [src]

`type Error = Infallible`

The type returned in the event of a conversion error.

`pub fn try_from(value: U) -> Result<T, <T as TryFrom>::Error>`[src]

`impl<T, U> TryInto for T where U: TryFrom<T>,` [src]

`type Error = >::Error`

The type returned in the event of a conversion error.

[−]Struct lumol::Composition

Implementations

impl Composition

pub fn new() -> Composition

pub fn add_particle(&mut self, kind: ParticleKind)

pub fn remove_particle(&mut self, kind: ParticleKind)

pub fn particles(&self, kind: ParticleKind) -> usize

pub fn all_particles( &'a self) -> impl Iterator<Item = (ParticleKind, usize)> + 'a

pub fn add_molecule(&mut self, hash: MoleculeHash)

pub fn remove_molecule(&mut self, hash: MoleculeHash)

pub fn molecules(&self, hash: MoleculeHash) -> usize

pub fn all_molecules( &'a self) -> impl Iterator<Item = (MoleculeHash, usize)> + 'a

Trait Implementations

impl Clone for Composition

pub fn clone(&self) -> Composition

fn clone_from(&mut self, source: &Self)1.0.0[src]

impl Debug for Composition

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

impl Eq for Composition

impl PartialEq<Composition> for Composition

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

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

impl StructuralEq for Composition

impl StructuralPartialEq for Composition

Auto Trait Implementations

impl RefUnwindSafe for Composition

impl Send for Composition

impl Sync for Composition

impl Unpin for Composition

impl UnwindSafe for Composition

Blanket Implementations

impl<T> Any for T where T: 'static + ?Sized, [src]

pub fn type_id(&self) -> TypeId[src]

impl<T> Borrow<T> for T where T: ?Sized, [src]

pub fn borrow(&self) -> &T[src]

impl<T> BorrowMut<T> for T where T: ?Sized, [src]

pub fn borrow_mut(&mut self) -> &mut T[src]

impl<T> From<T> for T[src]

pub fn from(t: T) -> T[src]

impl<T, U> Into<U> for T where U: From<T>, [src]

pub fn into(self) -> U[src]

impl<T> Pointable for T

pub const ALIGN: usize

type Init = T

pub unsafe fn init(init: <T as Pointable>::Init) -> usize

pub unsafe fn deref<'a>(ptr: usize) -> &'a T

pub unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T

pub unsafe fn drop(ptr: usize)

impl<T> ToOwned for T where T: Clone, [src]

type Owned = T

pub fn to_owned(&self) -> T[src]

pub fn clone_into(&self, target: &mut T)[src]

impl<T, U> TryFrom<U> for T where U: Into<T>, [src]

type Error = Infallible

pub fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>[src]

impl<T, U> TryInto<U> for T where U: TryFrom<T>, [src]

type Error = <U as TryFrom<T>>::Error

pub fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>[src]

impl<V, T> VZip<V> for T where V: MultiLane<T>,

pub fn vzip(self) -> V

`impl Composition`

`pub fn new() -> Composition`

`pub fn add_particle(&mut self, kind: ParticleKind)`

`pub fn remove_particle(&mut self, kind: ParticleKind)`

`pub fn particles(&self, kind: ParticleKind) -> usize`

`pub fn all_particles( &'a self ) -> impl Iterator<Item = (ParticleKind, usize)> + 'a`

`pub fn add_molecule(&mut self, hash: MoleculeHash)`

`pub fn remove_molecule(&mut self, hash: MoleculeHash)`

`pub fn molecules(&self, hash: MoleculeHash) -> usize`

`pub fn all_molecules( &'a self ) -> impl Iterator<Item = (MoleculeHash, usize)> + 'a`

`impl Clone for Composition`

`pub fn clone(&self) -> Composition`

`fn clone_from(&mut self, source: &Self)`1.0.0[src]

`impl Debug for Composition`

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

`impl Eq for Composition`

`impl PartialEq<Composition> for Composition`

`pub fn eq(&self, other: &Composition) -> bool`

`pub fn ne(&self, other: &Composition) -> bool`

`impl StructuralEq for Composition`

`impl StructuralPartialEq for Composition`

`impl RefUnwindSafe for Composition`

`impl Send for Composition`

`impl Sync for Composition`

`impl Unpin for Composition`

`impl UnwindSafe for Composition`

`impl<T> Any for T where T: 'static + ?Sized,` [src]

`pub fn type_id(&self) -> TypeId`[src]

`impl<T> Borrow<T> for T where T: ?Sized,` [src]

`pub fn borrow(&self) -> &T`[src]

`impl<T> BorrowMut<T> for T where T: ?Sized,` [src]

`pub fn borrow_mut(&mut self) -> &mut T`[src]

`impl<T> From<T> for T`[src]

`pub fn from(t: T) -> T`[src]

`impl<T, U> Into<U> for T where U: From<T>,` [src]

`pub fn into(self) -> U`[src]

`impl<T> Pointable for T`

`pub const ALIGN: usize`

`type Init = T`

`pub unsafe fn init(init: <T as Pointable>::Init) -> usize`

`pub unsafe fn deref<'a>(ptr: usize) -> &'a T`

`pub unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T`

`pub unsafe fn drop(ptr: usize)`

`impl<T> ToOwned for T where T: Clone,` [src]

`type Owned = T`

`pub fn to_owned(&self) -> T`[src]

`pub fn clone_into(&self, target: &mut T)`[src]

`impl<T, U> TryFrom<U> for T where U: Into<T>,` [src]

`type Error = Infallible`

`pub fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>`[src]

`impl<T, U> TryInto<U> for T where U: TryFrom<T>,` [src]

`type Error = <U as TryFrom<T>>::Error`

`pub fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>`[src]

`impl<V, T> VZip<V> for T where V: MultiLane<T>,`

`pub fn vzip(self) -> V`