Struct MorsePotentialF32

pub struct MorsePotentialF32 {
    pub radius: f32,
    pub potential_stiffness: f32,
    pub cutoff: f32,
    pub strength: f32,
}

Famous Morse potential for diatomic molecules.

Parameters & Variables

Symbol	Struct Field	Description
$R$	radius	Radius of the particle
$\lambda$	potential_stiffness	Can be interpreted as the inverse width of the potential
	cutoff	Cutoff after which the interaction strength is identically 0
$V_0$	strength	Interaction strength
$r$		Distance between interacting particles

\begin{equation} V(r) = V_0\left(1 - e^{-\lambda(r-R)}\right)^2 \end{equation}

References

[1] P. M. Morse, “Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels,” Physical Review, vol. 34, no. 1. American Physical Society (APS), pp. 57–64, Jul. 01, 1929. doi: 10.1103/physrev.34.57.

Fields

radius: f32

Radius of the object

potential_stiffness: f32

Defines the length for the interaction range

cutoff: f32

Cutoff after which the interaction is exactly 0

strength: f32

Strength of the interaction

Implementations

impl MorsePotentialF32

pub fn new( radius: f32, potential_stiffness: f32, cutoff: f32, strength: f32, ) -> Self

Available on crate feature pyo3 only.

Constructs a new MorsePotentialF32

use cellular_raza_building_blocks::MorsePotentialF32;
let morse_potential = MorsePotentialF32::new(
    radius,
    potential_stiffness,
    cutoff,
    strength,
);

Trait Implementations

impl AbsDiffEq for MorsePotentialF32

type Epsilon = <f32 as AbsDiffEq>::Epsilon

Used for specifying relative comparisons.

fn default_epsilon() -> Self::Epsilon

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

fn abs_diff_eq(&self, other: &Self, epsilon: Self::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 MorsePotentialF32

fn clone(&self) -> MorsePotentialF32

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for MorsePotentialF32

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for MorsePotentialF32

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<const D: usize> Interaction<Matrix<f32, Const<D>, Const<1>, ArrayStorage<f32, D, 1>>, Matrix<f32, Const<D>, Const<1>, ArrayStorage<f32, D, 1>>, Matrix<f32, Const<D>, Const<1>, ArrayStorage<f32, D, 1>>, f32> for MorsePotentialF32

fn calculate_force_between( &self, own_pos: &SVector<f32, D>, _own_vel: &SVector<f32, D>, ext_pos: &SVector<f32, D>, _ext_vel: &SVector<f32, D>, ext_info: &f32, ) -> Result<(SVector<f32, D>, SVector<f32, D>), 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<f32> for MorsePotentialF32

fn get_interaction_information(&self) -> f32

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

impl IntoPy<Py<PyAny>> for MorsePotentialF32

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

👎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 MorsePotentialF32

type Target = MorsePotentialF32

The Python output type

type Output = Bound<'py, <MorsePotentialF32 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<<Self as IntoPyObject<'_>>::Output, <Self as IntoPyObject<'_>>::Error>

Performs the conversion.

impl PartialEq for MorsePotentialF32

fn eq(&self, other: &MorsePotentialF32) -> 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 MorsePotentialF32

type Frozen = False

Whether the pyclass is frozen.

impl PyClassImpl for MorsePotentialF32

const IS_BASETYPE: bool = false

#[pyclass(subclass)]

const IS_SUBCLASS: bool = false

#[pyclass(extends=…)]

const IS_MAPPING: bool = false

#[pyclass(mapping)]

const IS_SEQUENCE: bool = false

#[pyclass(sequence)]

type BaseType = PyAny

Base class

type ThreadChecker = SendablePyClass<MorsePotentialF32>

This handles following two situations:

type PyClassMutability = <<PyAny as PyClassBaseType>::PyClassMutability as PyClassMutability>::MutableChild

Immutable or mutable

type Dict = PyClassDummySlot

Specify this class has #[pyclass(dict)] or not.

type WeakRef = PyClassDummySlot

Specify this class has #[pyclass(weakref)] or not.

type BaseNativeType = PyAny

The closest native ancestor. This is PyAny by default, and when you declare #[pyclass(extends=PyDict)], it’s PyDict.

fn items_iter() -> PyClassItemsIter

fn doc(py: Python<'_>) -> PyResult<&'static CStr>

Rendered class doc

fn lazy_type_object() -> &'static LazyTypeObject<Self>

fn dict_offset() -> Option<isize>

fn weaklist_offset() -> Option<isize>

impl PyClassNewTextSignature<MorsePotentialF32> for PyClassImplCollector<MorsePotentialF32>

fn new_text_signature(self) -> Option<&'static str>

impl<'a, 'py> PyFunctionArgument<'a, 'py, false> for &'a MorsePotentialF32

type Holder = Option<PyRef<'py, MorsePotentialF32>>

fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

impl<'a, 'py> PyFunctionArgument<'a, 'py, false> for &'a mut MorsePotentialF32

type Holder = Option<PyRefMut<'py, MorsePotentialF32>>

fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

impl PyMethods<MorsePotentialF32> for PyClassImplCollector<MorsePotentialF32>

fn py_methods(self) -> &'static PyClassItems

impl PyTypeInfo for MorsePotentialF32

const NAME: &'static str = "MorsePotentialF32"

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 MorsePotentialF32

fn default_max_relative() -> Self::Epsilon

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

fn relative_eq( &self, other: &Self, epsilon: Self::Epsilon, max_relative: Self::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 MorsePotentialF32

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl DerefToPyAny for MorsePotentialF32

impl StructuralPartialEq for MorsePotentialF32