Struct polymers::physics::single_chain::fjc::thermodynamics::isotensional::legendre::FJC

pub struct FJC {
    pub hinge_mass: f64,
    pub link_length: f64,
    pub number_of_links: u8,
    /* private fields */
}

The structure of the thermodynamics of the FJC model in the isotensional ensemble approximated using a Legendre transformation.

Fields

hinge_mass: f64

The mass of each hinge in the chain in units of kg/mol.

link_length: f64

The length of each link in the chain in units of nm.

number_of_links: u8

The number of links in the chain.

Implementations

impl FJC

The implemented functionality of the thermodynamics of the FJC model in the isotensional ensemble approximated using a Legendre transformation.

pub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64) -> Self

Initializes and returns an instance of the thermodynamics of the FJC model in the isotensional ensemble approximated using a Legendre transformation.

pub fn helmholtz_free_energy(&self, force: &f64, temperature: &f64) -> f64

The helmholtz free energy as a function of the applied force and temperature.

pub fn helmholtz_free_energy_per_link(
    &self,
    force: &f64,
    temperature: &f64
) -> f64

The helmholtz free energy per link as a function of the applied force and temperature.

pub fn relative_helmholtz_free_energy(
    &self,
    force: &f64,
    temperature: &f64
) -> f64

The relative helmholtz free energy as a function of the applied force and temperature.

pub fn relative_helmholtz_free_energy_per_link(
    &self,
    force: &f64,
    temperature: &f64
) -> f64

The relative helmholtz free energy per link as a function of the applied force and temperature.

pub fn nondimensional_helmholtz_free_energy(
    &self,
    nondimensional_force: &f64,
    temperature: &f64
) -> f64

The nondimensional helmholtz free energy as a function of the applied nondimensional force and temperature.

pub fn nondimensional_helmholtz_free_energy_per_link(
    &self,
    nondimensional_force: &f64,
    temperature: &f64
) -> f64

The nondimensional helmholtz free energy per link as a function of the applied nondimensional force and temperature.

pub fn nondimensional_relative_helmholtz_free_energy(
    &self,
    nondimensional_force: &f64
) -> f64

The nondimensional relative helmholtz free energy as a function of the applied nondimensional force.

pub fn nondimensional_relative_helmholtz_free_energy_per_link(
    &self,
    nondimensional_force: &f64
) -> f64

The nondimensional relative helmholtz free energy per link as a function of the applied nondimensional force.