Struct polymers::physics::single_chain::swfjc::thermodynamics::isometric::legendre::SWFJC

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

The structure of the thermodynamics of the SWFJC model in the isometric 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.

well_width: f64

The width of the well in units of nm.

Implementations

impl SWFJC

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

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

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

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

The expected force as a function of the applied end-to-end length and temperature.

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

The expected nondimensional force as a function of the applied nondimensional end-to-end length per link.

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

The Helmholtz free energy as a function of the applied end-to-end length and temperature.

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

The Helmholtz free energy per link as a function of the applied end-to-end length and temperature.

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

The relative Helmholtz free energy as a function of the applied end-to-end length and temperature.

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

The relative Helmholtz free energy per link as a function of the applied end-to-end length and temperature.

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

The nondimensional Helmholtz free energy as a function of the applied nondimensional end-to-end length per link and temperature.

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

The nondimensional Helmholtz free energy per link as a function of the applied nondimensional end-to-end length per link and temperature.

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

The nondimensional relative Helmholtz free energy as a function of the applied nondimensional end-to-end length per link.

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

The nondimensional relative Helmholtz free energy per link as a function of the applied nondimensional end-to-end length per link.

pub fn equilibrium_distribution(&self, end_to_end_length: &f64) -> f64

The equilibrium probability density of end-to-end vectors as a function of the end-to-end length.

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

The equilibrium probability density of nondimensional end-to-end vectors per link as a function of the nondimensional end-to-end length per link.

pub fn equilibrium_radial_distribution(&self, end_to_end_length: &f64) -> f64

The equilibrium probability density of end-to-end lengths as a function of the end-to-end length.

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

The equilibrium probability density of nondimensional end-to-end lengths per link as a function of the nondimensional end-to-end length per link.