Struct polymers::physics::single_chain::fjc::thermodynamics::modified_canonical::asymptotic::strong_potential::FJC
source · pub struct FJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
}Expand description
The structure of the thermodynamics of the FJC model in the modified canonical ensemble approximated using an asymptotic approach valid for strong potentials.
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.
Implementations§
source§impl FJC
impl FJC
The implemented functionality of the thermodynamics of the FJC model in the modified canonical ensemble approximated using an asymptotic approach valid for strong potentials.
sourcepub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64) -> Self
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 approximated using an asymptotic approach valid for strong potentials.
sourcepub fn force(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn nondimensional_force(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64
) -> f64
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.
sourcepub fn helmholtz_free_energy(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn helmholtz_free_energy_per_link(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn relative_helmholtz_free_energy(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn relative_helmholtz_free_energy_per_link(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn nondimensional_helmholtz_free_energy(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn nondimensional_helmholtz_free_energy_per_link(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
temperature: &f64
) -> f64
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.
sourcepub fn nondimensional_relative_helmholtz_free_energy(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64
) -> f64
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.
sourcepub fn nondimensional_relative_helmholtz_free_energy_per_link(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64
) -> f64
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.