Struct polymers::physics::single_chain::fjc::thermodynamics::modified_canonical::FJC

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

The structure of the thermodynamics of the FJC model in the modified canonical ensemble.

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.

asymptotic: FJC

The thermodynamic functions of the model in the isotensional ensemble approximated using an asymptotic approach.

Implementations

impl FJC

The implemented functionality of the thermodynamics of the FJC model in the modified canonical ensemble.

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 modified canonical ensemble.

pub fn end_to_end_length(
    &self,
    potential_distance: &f64,
    potential_stiffness: &f64,
    temperature: &f64
) -> f64

The expected end-to-end length as a function of the applied potential distance, potential stiffness, and temperature.

pub fn end_to_end_length_per_link(
    &self,
    potential_distance: &f64,
    potential_stiffness: &f64,
    temperature: &f64
) -> f64

The expected end-to-end length per link as a function of the applied potential distance, potential stiffness, and temperature.

pub fn nondimensional_end_to_end_length(
    &self,
    nondimensional_potential_distance: &f64,
    nondimensional_potential_stiffness: &f64
) -> f64

The expected nondimensional end-to-end length as a function of the applied nondimensional potential distance and nondimensional potential stiffness.

pub fn nondimensional_end_to_end_length_per_link(
    &self,
    nondimensional_potential_distance: &f64,
    nondimensional_potential_stiffness: &f64
) -> f64

The expected nondimensional end-to-end length per link as a function of the applied nondimensional potential distance and nondimensional potential stiffness.

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

The expected force as a function of the applied potential distance, potential stiffness, and temperature.

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

The expected nondimensional force as a function of the applied nondimensional potential distance and nondimensional potential stiffness.

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

The helmholtz free energy as a function of the applied potential distance, potential stiffness, and temperature.

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

The helmholtz free energy per link as a function of the applied potential distance, potential stiffness, and temperature.

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

The relative helmholtz free energy as a function of the applied potential distance, potential stiffness, and temperature.

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

The relative helmholtz free energy per link as a function of the applied potential distance, potential stiffness, and temperature.

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

The nondimensional helmholtz free energy as a function of the applied nondimensional potential distance, nondimensional potential stiffness, and temperature.

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

The nondimensional helmholtz free energy per link as a function of the applied nondimensional potential distance, nondimensional potential stiffness, and temperature.

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

The nondimensional relative helmholtz free energy as a function of the applied nondimensional potential distance and nondimensional potential stiffness.

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

The nondimensional relative helmholtz free energy per link as a function of the applied nondimensional potential distance and nondimensional potential stiffness.

pub fn gibbs_free_energy(
    &self,
    potential_distance: &f64,
    potential_stiffness: &f64,
    temperature: &f64
) -> f64

The gibbs free energy as a function of the applied potential distance, potential stiffness, and temperature.

pub fn gibbs_free_energy_per_link(
    &self,
    potential_distance: &f64,
    potential_stiffness: &f64,
    temperature: &f64
) -> f64

The gibbs free energy epr link as a function of the applied potential distance, potential stiffness, and temperature.

pub fn relative_gibbs_free_energy(
    &self,
    potential_distance: &f64,
    potential_stiffness: &f64,
    temperature: &f64
) -> f64

The relative gibbs free energy as a function of the applied potential distance, potential stiffness, and temperature.

pub fn relative_gibbs_free_energy_per_link(
    &self,
    potential_distance: &f64,
    potential_stiffness: &f64,
    temperature: &f64
) -> f64

The relative gibbs free energy per link as a function of the applied potential distance, potential stiffness, and temperature.

pub fn nondimensional_gibbs_free_energy(
    &self,
    nondimensional_potential_distance: &f64,
    nondimensional_potential_stiffness: &f64,
    temperature: &f64
) -> f64

The nondimensional gibbs free energy as a function of the applied nondimensional potential distance, nondimensional potential stiffness, and temperature.

pub fn nondimensional_gibbs_free_energy_per_link(
    &self,
    nondimensional_potential_distance: &f64,
    nondimensional_potential_stiffness: &f64,
    temperature: &f64
) -> f64

The nondimensional gibbs free energy per link as a function of the applied nondimensional potential distance, nondimensional potential stiffness, and temperature.

pub fn nondimensional_relative_gibbs_free_energy(
    &self,
    nondimensional_potential_distance: &f64,
    nondimensional_potential_stiffness: &f64
) -> f64

The nondimensional relative gibbs free energy as a function of the applied nondimensional potential distance and nondimensional potential stiffness.

pub fn nondimensional_relative_gibbs_free_energy_per_link(
    &self,
    nondimensional_potential_distance: &f64,
    nondimensional_potential_stiffness: &f64
) -> f64

The nondimensional relative gibbs free energy per link as a function of the applied nondimensional potential distance and nondimensional potential stiffness.