Struct FreelyJointedChain 

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

The freely-jointed chain model.

Fields

link_length: Scalar

The link length $\ell_b$.

number_of_links: u8

The number of links $N_b$.

ensemble: Ensemble

The thermodynamic ensemble.

Trait Implementations

impl Clone for FreelyJointedChain

fn clone(&self) -> FreelyJointedChain

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for FreelyJointedChain

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

Formats the value using the given formatter.

impl Inextensible for FreelyJointedChain

fn maximum_nondimensional_extension(&self) -> Scalar

\lim_{\eta\to\infty}\gamma(\eta) = 1

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

impl Isometric for FreelyJointedChain

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

\eta(\gamma) = \frac{1}{N_b\gamma} + \left(\frac{1}{2} - \frac{1}{N_b}\right)\frac{\sum_{s=0}^{s_\mathrm{max}}(-1)^s\binom{N_b}{s}\left(m - \frac{s}{N_b}\right)^{N_b - 3}}{\sum_{s=0}^{s_\mathrm{max}}(-1)^s\binom{N_b}{s}\left(m - \frac{s}{N_b}\right)^{N_b - 2}}

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

\kappa(\gamma) = \frac{\partial\eta}{\partial\gamma}

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

\mathcal{P}(\gamma) = \frac{1}{8\pi\gamma}\frac{N_b^{N_b}}{(N_b - 2)!}\sum_{s=0}^{s_\mathrm{max}}(-1)^s\binom{N_b}{s}\left(m - \frac{s}{N_b}\right)^{N_b - 2}

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

impl Isotensional for FreelyJointedChain

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

\varrho(\eta) = N_b\ln\left[\frac{\eta}{\sinh(\eta)}\right]

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

\gamma(\eta) = \mathcal{L}(\eta)

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

\zeta(\eta) = \mathcal{L}'(\eta)

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

impl Legendre for FreelyJointedChain

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

\eta(\gamma) = \mathcal{L}^{-1}(\gamma)

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

\mathcal{P}(\gamma) \propto \left\{\frac{\sinh[\eta(\gamma)]}{\eta(\gamma)\exp[\eta(\gamma)\gamma]}\right\}^{N_b}

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_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 FreelyJointedChain

fn random_nondimensional_link_vectors( &self, nondimensional_force: Scalar, ) -> Configuration

fn random_configuration(&self, nondimensional_force: Scalar) -> Configuration

impl SingleChain for FreelyJointedChain

fn link_length(&self) -> Scalar

fn number_of_links(&self) -> u8

impl Thermodynamics for FreelyJointedChain

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>