Struct ExtensibleFreelyJointedChain 

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

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

---

1. N. Balabaev and T. Khazanovich, Russian Journal of Physical Chemistry B 3, 242 (2009). ↩

2. 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

impl Clone for ExtensibleFreelyJointedChain

fn clone(&self) -> ExtensibleFreelyJointedChain

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ExtensibleFreelyJointedChain

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

Formats the value using the given formatter.

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>

\varrho(\eta) = \ln\left[\frac{\eta}{\sinh(\eta)}\right] - \ln\left[1 + \frac{\eta}{\kappa}\,\coth(\eta)\right] - \frac{\eta^2}{2\kappa} - \ln\left[1 + g(\eta)\right]

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

\gamma(\eta) = \mathcal{L}(\eta) + \frac{\eta}{\kappa}\left[\frac{1 - \mathcal{L}(\eta)\coth(\eta)}{1 + (\eta/\kappa)\coth(\eta)}\right] + \frac{\eta}{\kappa} + \frac{g'(\eta)}{1 + g(\eta)}

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

\zeta(\eta) = \mathcal{L}'(\eta) + \frac{\partial}{\partial\eta}\left\{\frac{\eta}{\kappa}\left[\frac{1 - \mathcal{L}(\eta)\coth(\eta)}{1 + (\eta/\kappa)\coth(\eta)}\right]\right\} + \frac{1}{\kappa} + \frac{g''(\eta)}{1 + g(\eta)} - \left[\frac{g'(\eta)}{1 + g(\eta)}\right]^2

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

impl IsotensionalExtensible for ExtensibleFreelyJointedChain

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

\langle\upsilon\rangle = \frac{\kappa}{2}\Big(\langle\lambda^2\rangle - 2\langle\lambda\rangle + 1\Big)

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

\sigma_\upsilon^2 = \frac{\kappa^2}{4}\Big(\langle\lambda^4\rangle - 4\langle\lambda^3\rangle + 6\langle\lambda^2\rangle - 4\langle\lambda\rangle + 1\Big) - \langle\upsilon\rangle^2

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

p(\upsilon\,|\,\eta) = \left|\frac{\partial\upsilon}{\partial\lambda}\right|^{-1} \Big[p(\lambda_+\,|\,\eta) + p(\lambda_-\,|\,\eta)\Big]

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

\langle\lambda\rangle = \frac{\mu_1^+(\kappa,\eta) - \mu_1^-(\kappa,\eta) + \nu_1(\kappa,\eta)}{\mu_0^+(\kappa,\eta) - \mu_0^-(\kappa,\eta)}

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

\sigma_\lambda^2 = \frac{\mu_2^+(\kappa,\eta) - \mu_2^-(\kappa,\eta) + \nu_2^+(\kappa,\eta) - \nu_2^-(\kappa,\eta)}{\mu_0^+(\kappa,\eta) - \mu_0^-(\kappa,\eta)} - \langle\lambda\rangle^2

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

p(\lambda\,|\,\eta) = \sqrt{\frac{\kappa}{2\pi}}\,\frac{4\lambda\sinh(\eta\lambda)\,e^{-\upsilon(\lambda)}\,e^{-\eta^2/2\kappa}}{\mu_0^+(\kappa,\eta) - \mu_0^-(\kappa,\eta)}

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_nondimensional_link_vectors( &self, nondimensional_force: Scalar, ) -> Configuration

fn random_configuration(&self, nondimensional_force: Scalar) -> 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 ThermodynamicsExtensible for ExtensibleFreelyJointedChain

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

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

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

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

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

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

impl Extensible for ExtensibleFreelyJointedChain