pub struct MorsePotential {
pub radius: f64,
pub potential_stiffness: f64,
pub cutoff: f64,
pub strength: f64,
}
Expand description
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 - \exp\left(-\lambda(r-R)\right)\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: f64
Radius of the object
potential_stiffness: f64
Defines the length for the interaction range
cutoff: f64
Cutoff after which the interaction is exactly 0
strength: f64
Strength of the interaction
Trait Implementations§
Source§impl Clone for MorsePotential
impl Clone for MorsePotential
Source§fn clone(&self) -> MorsePotential
fn clone(&self) -> MorsePotential
Returns a copy of the value. Read more
1.0.0 · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source
. Read moreSource§impl Debug for MorsePotential
impl Debug for MorsePotential
Source§impl<'de> Deserialize<'de> for MorsePotential
impl<'de> Deserialize<'de> for MorsePotential
Source§fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
Deserialize this value from the given Serde deserializer. Read more
Source§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 MorsePotential
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 MorsePotential
Source§fn get_interaction_information(&self) -> f64
fn get_interaction_information(&self) -> f64
Get additional information of cellular properties (ie. for cell-specific interactions).
For now, this can also be used to get the mass of the other cell-agent.
In the future, we will probably provide a custom function for this.
Source§fn calculate_force_between(
&self,
own_pos: &SVector<f64, D>,
_own_vel: &SVector<f64, D>,
ext_pos: &SVector<f64, D>,
_ext_vel: &SVector<f64, D>,
ext_info: &f64,
) -> Result<(SVector<f64, D>, SVector<f64, D>), CalcError>
fn calculate_force_between( &self, own_pos: &SVector<f64, D>, _own_vel: &SVector<f64, D>, ext_pos: &SVector<f64, D>, _ext_vel: &SVector<f64, D>, ext_info: &f64, ) -> Result<(SVector<f64, D>, SVector<f64, 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>
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>
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.
Source§impl IntoPy<Py<PyAny>> for MorsePotential
impl IntoPy<Py<PyAny>> for MorsePotential
Source§impl PartialEq for MorsePotential
impl PartialEq for MorsePotential
Source§impl PyClass for MorsePotential
impl PyClass for MorsePotential
Source§impl PyClassImpl for MorsePotential
impl PyClassImpl for MorsePotential
Source§const IS_BASETYPE: bool = false
const IS_BASETYPE: bool = false
#[pyclass(subclass)]
Source§const IS_SUBCLASS: bool = false
const IS_SUBCLASS: bool = false
#[pyclass(extends=…)]
Source§const IS_MAPPING: bool = false
const IS_MAPPING: bool = false
#[pyclass(mapping)]
Source§const IS_SEQUENCE: bool = false
const IS_SEQUENCE: bool = false
#[pyclass(sequence)]
Source§type ThreadChecker = SendablePyClass<MorsePotential>
type ThreadChecker = SendablePyClass<MorsePotential>
This handles following two situations: Read more
Source§type PyClassMutability = <<PyAny as PyClassBaseType>::PyClassMutability as PyClassMutability>::MutableChild
type PyClassMutability = <<PyAny as PyClassBaseType>::PyClassMutability as PyClassMutability>::MutableChild
Immutable or mutable
Source§type BaseNativeType = PyAny
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 lazy_type_object() -> &'static LazyTypeObject<Self>
fn dict_offset() -> Option<isize>
fn weaklist_offset() -> Option<isize>
Source§impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a MorsePotential
impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a MorsePotential
Source§impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a mut MorsePotential
impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a mut MorsePotential
Source§impl PyTypeInfo for MorsePotential
impl PyTypeInfo for MorsePotential
Source§fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject
fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject
Returns the PyTypeObject instance for this type.
§fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>
fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>
Returns the safe abstraction over the type object.
§fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool
fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool
Checks if
object
is an instance of this type or a subclass of this type.§fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool
fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool
Checks if
object
is an instance of this type.Source§impl Serialize for MorsePotential
impl Serialize for MorsePotential
impl DerefToPyAny for MorsePotential
impl StructuralPartialEq for MorsePotential
Auto Trait Implementations§
impl Freeze for MorsePotential
impl RefUnwindSafe for MorsePotential
impl Send for MorsePotential
impl Sync for MorsePotential
impl Unpin for MorsePotential
impl UnwindSafe for MorsePotential
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
Source§unsafe fn clone_to_uninit(&self, dst: *mut T)
unsafe fn clone_to_uninit(&self, dst: *mut T)
🔬This is a nightly-only experimental API. (
clone_to_uninit
)§impl<T> FromPyObject<'_> for Twhere
T: PyClass + Clone,
impl<T> FromPyObject<'_> for Twhere
T: PyClass + Clone,
§fn extract_bound(obj: &Bound<'_, PyAny>) -> Result<T, PyErr>
fn extract_bound(obj: &Bound<'_, PyAny>) -> Result<T, PyErr>
§impl<'py, T> FromPyObjectBound<'_, 'py> for Twhere
T: FromPyObject<'py>,
impl<'py, T> FromPyObjectBound<'_, 'py> for Twhere
T: FromPyObject<'py>,
§fn from_py_object_bound(ob: Borrowed<'_, 'py, PyAny>) -> Result<T, PyErr>
fn from_py_object_bound(ob: Borrowed<'_, 'py, PyAny>) -> Result<T, PyErr>
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self>
fn into_either(self, into_left: bool) -> Either<Self, Self>
Converts
self
into a Left
variant of Either<Self, Self>
if into_left
is true
.
Converts self
into a Right
variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
self
into a Left
variant of Either<Self, Self>
if into_left(&self)
returns true
.
Converts self
into a Right
variant of Either<Self, Self>
otherwise. Read more§impl<T> PyErrArguments for T
impl<T> PyErrArguments for T
§impl<T> PyTypeCheck for Twhere
T: PyTypeInfo,
impl<T> PyTypeCheck for Twhere
T: PyTypeInfo,
§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self
from the equivalent element of its
superset. Read more§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self
is actually part of its subset T
(and can be converted to it).§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset
but without any property checks. Always succeeds.§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self
to the equivalent element of its superset.