Struct polymers::physics::single_chain::efjc::thermodynamics::isotensional::asymptotic::reduced::legendre::EFJC
source · pub struct EFJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
pub link_stiffness: f64,
}Expand description
The structure of the thermodynamics of the EFJC model thermodynamics in the isotensional ensemble approximated using a reduced asymptotic approach and a Legendre transformation.
Fields§
§hinge_mass: f64The mass of each hinge in the chain in units of kg/mol.
link_length: f64The length of each link in the chain in units of nm.
number_of_links: u8The number of links in the chain.
link_stiffness: f64The stiffness of each link in the chain in units of J/(mol⋅nm^2).
Implementations§
source§impl EFJC
impl EFJC
The implemented functionality of the thermodynamics of the EFJC model in the isotensional ensemble approximated using a reduced asymptotic approach and a Legendre transformation.
sourcepub fn init(
number_of_links: u8,
link_length: f64,
hinge_mass: f64,
link_stiffness: f64,
) -> Self
pub fn init( number_of_links: u8, link_length: f64, hinge_mass: f64, link_stiffness: f64, ) -> Self
Initializes and returns an instance of the thermodynamics of the EFJC model in the isotensional ensemble approximated using a reduced asymptotic approach and a Legendre transformation.
sourcepub fn helmholtz_free_energy(&self, force: &f64, temperature: &f64) -> f64
pub fn helmholtz_free_energy(&self, force: &f64, temperature: &f64) -> f64
The Helmholtz free energy as a function of the applied force and temperature.
sourcepub fn helmholtz_free_energy_per_link(
&self,
force: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn relative_helmholtz_free_energy(
&self,
force: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn relative_helmholtz_free_energy_per_link(
&self,
force: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_helmholtz_free_energy(
&self,
nondimensional_force: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_helmholtz_free_energy_per_link(
&self,
nondimensional_force: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_relative_helmholtz_free_energy(
&self,
nondimensional_force: &f64,
temperature: &f64,
) -> f64
pub fn nondimensional_relative_helmholtz_free_energy( &self, nondimensional_force: &f64, temperature: &f64, ) -> f64
The nondimensional relative Helmholtz free energy as a function of the applied nondimensional force.
sourcepub fn nondimensional_relative_helmholtz_free_energy_per_link(
&self,
nondimensional_force: &f64,
temperature: &f64,
) -> f64
pub fn nondimensional_relative_helmholtz_free_energy_per_link( &self, nondimensional_force: &f64, temperature: &f64, ) -> f64
The nondimensional relative Helmholtz free energy per link as a function of the applied nondimensional force.