Struct ExtensibleFreelyJointedChain

pub struct ExtensibleFreelyJointedChain {
    pub link_length: Scalar,
    pub link_stiffness: Scalar,
    pub number_of_links: u8,
    pub ensemble: Ensemble,
}

Expand description

The extensible freely-jointed chain model.¹^,²

N. Balabaev and T. Khazanovich, Russian Journal of Physical Chemistry B 3, 242 (2009). ↩
M.R. Buche, M.N. Silberstein, and S.J. Grutzik, Physical Review E 106, 024502 (2022). ↩

Fields§

§link_length: Scalar

The link length $\ell_b$.

§link_stiffness: Scalar

The link stiffness $k_b$.

§number_of_links: u8

The number of links $N_b$.

§ensemble: Ensemble

The thermodynamic ensemble.

Trait Implementations§

Returns a duplicate of the value. Read more

Performs copy-assignment from source. Read more

Formats the value using the given formatter. Read more

\varrho(\eta) = \varrho_a(\eta) - \ln\left[1 + g(\eta)\right]

\gamma(\eta) = \gamma_a(\eta) + \frac{g'(\eta)}{1 + g(\eta)}

\zeta(\eta) = \zeta_a(\eta) + \frac{g''(\eta)}{1 + g(\eta)} - \left[\frac{g'(\eta)}{1 + g(\eta)}\right]^2

Auto Trait Implementations§

Blanket Implementations§

Gets the TypeId of self. Read more

Immutably borrows from an owned value. Read more

Mutably borrows from an owned value. Read more

🔬This is a nightly-only experimental API. (clone_to_uninit)

Performs copy-assignment from self to dest. Read more

Returns the argument unchanged.

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

The resulting type after obtaining ownership.

Creates owned data from borrowed data, usually by cloning. Read more

Uses borrowed data to replace owned data, usually by cloning. Read more

The type returned in the event of a conversion error.

Performs the conversion.

The type returned in the event of a conversion error.

Performs the conversion.

ExtensibleFreelyJointedChain

Struct ExtensibleFreelyJointedChain Copy item path

Fields§

Trait Implementations§

impl Clone for ExtensibleFreelyJointedChain

fn clone(&self) -> ExtensibleFreelyJointedChain

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

impl Debug for ExtensibleFreelyJointedChain

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

impl Isometric for ExtensibleFreelyJointedChain

fn nondimensional_helmholtz_free_energy( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_force( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_stiffness( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_spherical_distribution( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy_per_link( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_radial_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

impl Isotensional for ExtensibleFreelyJointedChain

fn nondimensional_gibbs_free_energy_per_link( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_extension( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_compliance( &self, _nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

impl Legendre for ExtensibleFreelyJointedChain

fn nondimensional_spherical_distribution( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy_per_link( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_force( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_stiffness( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_radial_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy_per_link( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_extension( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_compliance( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

impl MonteCarlo for ExtensibleFreelyJointedChain

fn random_configuration(&self) -> Configuration

impl SingleChain for ExtensibleFreelyJointedChain

fn link_length(&self) -> Scalar

fn number_of_links(&self) -> u8

impl Thermodynamics for ExtensibleFreelyJointedChain

fn ensemble(&self) -> Ensemble

fn temperature(&self) -> Scalar

fn nondimensional_helmholtz_free_energy( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy_per_link( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_force( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_stiffness( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_radial_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_spherical_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy_per_link( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_extension( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_compliance( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

impl Extensible for ExtensibleFreelyJointedChain

Auto Trait Implementations§

impl Freeze for ExtensibleFreelyJointedChain

impl RefUnwindSafe for ExtensibleFreelyJointedChain

impl Send for ExtensibleFreelyJointedChain

impl Sync for ExtensibleFreelyJointedChain

impl Unpin for ExtensibleFreelyJointedChain

impl UnwindSafe for ExtensibleFreelyJointedChain

Blanket Implementations§

impl<T> Any for Twhere T: 'static + ?Sized,

fn type_id(&self) -> TypeId

impl<T> Borrow<T> for Twhere T: ?Sized,

fn borrow(&self) -> &T

impl<T> BorrowMut<T> for Twhere T: ?Sized,

fn borrow_mut(&mut self) -> &mut T

impl<T> CloneToUninit for Twhere T: Clone,

unsafe fn clone_to_uninit(&self, dest: *mut u8)

impl<T> From<T> for T

fn from(t: T) -> T

impl<T, U> Into<U> for Twhere U: From<T>,

fn into(self) -> U

impl<T> MonteCarloExtensible for Twhere T: Extensible + MonteCarlo,

fn nondimensional_radial_distribution( &self, num_bins: usize, num_samples: usize, num_threads: usize, maximum_nondimensional_extension: Scalar, ) -> (Vector, Vector)

impl<T> ToOwned for Twhere T: Clone,

type Owned = T

fn to_owned(&self) -> T

fn clone_into(&self, target: &mut T)

impl<T, U> TryFrom<U> for Twhere U: Into<T>,

type Error = Infallible

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

Struct ExtensibleFreelyJointedChain

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

impl<T> Borrow<T> for T
where T: ?Sized,

impl<T> BorrowMut<T> for T
where T: ?Sized,

impl<T> CloneToUninit for T
where T: Clone,

impl<T, U> Into<U> for T
where U: From<T>,

impl<T> MonteCarloExtensible for T
where T: Extensible + MonteCarlo,

impl<T> ToOwned for T
where T: Clone,

impl<T, U> TryFrom<U> for T
where U: Into<T>,

impl<T, U> TryInto<U> for T
where U: TryFrom<T>,