Struct MiePotential

pub struct MiePotential {
    pub radius: f64,
    pub strength: f64,
    pub bound: f64,
    pub cutoff: f64,
    pub en: f64,
    pub em: f64,
}

Available on crate feature elli only.

Generalizeation of the BoundLennardJones potential.

\begin{align} U(r) &= C\epsilon\left[ \left(\frac{\sigma}{r}\right)^n - \left(\frac{\sigma}{r}\right)^m\right]\\ C &= \frac{n}{n-m}\left(\frac{n}{m}\right)^{\frac{n}{n-m}}\\ V(r) &= \min(U(r), \beta)\theta(r-\zeta) \end{align}

This struct comes in a 64bit version MiePotential and a 32bit variant MiePotentialF32.

References

G. Mie, “Zur kinetischen Theorie der einatomigen Körper,” Annalen der Physik, vol. 316, no. 8. Wiley, pp. 657–697, Jan. 1903. doi: 10.1002/andp.19033160802.

Fields

radius: f64

Interaction strength $\epsilon$ of the potential.

strength: f64

Overall size $\sigma$ of the object of the potential.

bound: f64

Numerical bound $\beta$ of the interaction strength.

cutoff: f64

Defines a cutoff $\zeta$ after which the potential will be fixed to exactly zero.

en: f64

Exponent $n$ of the potential

em: f64

Exponent $m$ of the potential

Implementations

impl MiePotential

pub fn new( radius: f64, strength: f64, bound: f64, cutoff: f64, en: f64, em: f64, ) -> MiePotential

Available on crate feature cpu_os_threads only.

Constructs a new MiePotential

use cellular_raza_building_blocks::MiePotential;
let (radius, strength, bound, cutoff, en, em) = (1.0, 1.0, 1.0, 1.0, 1.0, 1.0);
let mie_potential = MiePotential::new(
    radius,
    strength,
    bound,
    cutoff,
    en,
    em,
);

Trait Implementations

impl AbsDiffEq for MiePotential

type Epsilon = <f64 as AbsDiffEq>::Epsilon

Used for specifying relative comparisons.

fn default_epsilon() -> <MiePotential as AbsDiffEq>::Epsilon

The default tolerance to use when testing values that are close together.

fn abs_diff_eq( &self, other: &MiePotential, epsilon: <MiePotential as AbsDiffEq>::Epsilon, ) -> bool

A test for equality that uses the absolute difference to compute the approximimate equality of two numbers.

fn abs_diff_ne(&self, other: &Rhs, epsilon: Self::Epsilon) -> bool

The inverse of [AbsDiffEq::abs_diff_eq].

impl Clone for MiePotential

fn clone(&self) -> MiePotential

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for MiePotential

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for MiePotential

fn deserialize<__D>( __deserializer: __D, ) -> Result<MiePotential, <__D as Deserializer<'de>>::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<const D: usize> Interaction<Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, f64> for MiePotential

fn calculate_force_between( &self, own_pos: &Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, _own_vel: &Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, ext_pos: &Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, _ext_vel: &Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, ext_radius: &f64, ) -> Result<(Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>, Matrix<f64, Const<D>, Const<1>, ArrayStorage<f64, D, 1>>), CalcError>

Calculates the forces (velocity-derivative) on the corresponding external position given external velocity. By providing velocities, we can calculate terms that are related to friction. The function returns two forces, one acting on the current agent and the other on the external agent.

fn is_neighbor( &self, own_pos: &Pos, ext_pos: &Pos, ext_inf: &Inf, ) -> Result<bool, CalcError>

Checks if the other cell represented by position and information is a neighbor to the current one or not.

fn react_to_neighbors(&mut self, neighbors: usize) -> Result<(), CalcError>

Reacts to the results gathered by the Interaction::is_neighbor method and changes the state of the cell.

impl InteractionInformation<f64> for MiePotential

fn get_interaction_information(&self) -> f64

Get additional information of cellular properties (ie. for cell-specific interactions).

impl IntoPy<Py<PyAny>> for MiePotential

fn into_py(self, py: Python<'_>) -> Py<PyAny>

👎Deprecated since 0.23.0: IntoPy is going to be replaced by IntoPyObject. See the migration guide (https://pyo3.rs/v0.23.0/migration) for more information.

Performs the conversion.

impl<'py> IntoPyObject<'py> for MiePotential

type Target = MiePotential

The Python output type

type Output = Bound<'py, <MiePotential as IntoPyObject<'py>>::Target>

The smart pointer type to use.

type Error = PyErr

The type returned in the event of a conversion error.

fn into_pyobject( self, py: Python<'py>, ) -> Result<<MiePotential as IntoPyObject<'py>>::Output, <MiePotential as IntoPyObject<'py>>::Error>

Performs the conversion.

impl PartialEq for MiePotential

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

Tests for self and other values to be equal, and is used by ==.

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

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

impl PyClass for MiePotential

type Frozen = False

Whether the pyclass is frozen.

impl PyTypeInfo for MiePotential

const NAME: &'static str = "MiePotential"

Class name.

const MODULE: Option<&'static str> = ::core::option::Option::None

Module name, if any.

fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject

Returns the PyTypeObject instance for this type.

fn type_object(py: Python<'_>) -> Bound<'_, PyType>

Returns the safe abstraction over the type object.

fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>

👎Deprecated since 0.23.0: renamed to PyTypeInfo::type_object

Deprecated name for [PyTypeInfo::type_object].

fn is_type_of(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type or a subclass of this type.

fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool

👎Deprecated since 0.23.0: renamed to PyTypeInfo::is_type_of

Deprecated name for [PyTypeInfo::is_type_of].

fn is_exact_type_of(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type.

fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool

👎Deprecated since 0.23.0: renamed to PyTypeInfo::is_exact_type_of

Deprecated name for [PyTypeInfo::is_exact_type_of].

impl RelativeEq for MiePotential

fn default_max_relative() -> <MiePotential as AbsDiffEq>::Epsilon

The default relative tolerance for testing values that are far-apart.

fn relative_eq( &self, other: &MiePotential, epsilon: <MiePotential as AbsDiffEq>::Epsilon, max_relative: <MiePotential as AbsDiffEq>::Epsilon, ) -> bool

A test for equality that uses a relative comparison if the values are far apart.

fn relative_ne( &self, other: &Rhs, epsilon: Self::Epsilon, max_relative: Self::Epsilon, ) -> bool

The inverse of [RelativeEq::relative_eq].

impl Serialize for MiePotential

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl DerefToPyAny for MiePotential

impl StructuralPartialEq for MiePotential