Struct polymers::physics::single_chain::fjc::thermodynamics::isometric::FJC
source · pub struct FJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
pub legendre: FJC,
}Expand description
The structure of the thermodynamics of the FJC model in the isometric ensemble.
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.
legendre: FJCThe thermodynamic functions of the model in the isometric ensemble approximated using a Legendre transformation.
Implementations§
source§impl FJC
impl FJC
The implemented functionality of the thermodynamics of the FJC model in the isometric ensemble.
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 isometric ensemble.
sourcepub fn force(&self, end_to_end_length: &f64, temperature: &f64) -> f64
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.
sourcepub fn nondimensional_force(
&self,
nondimensional_end_to_end_length_per_link: &f64,
) -> f64
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.
sourcepub fn helmholtz_free_energy(
&self,
end_to_end_length: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn helmholtz_free_energy_per_link(
&self,
end_to_end_length: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn relative_helmholtz_free_energy(
&self,
end_to_end_length: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn relative_helmholtz_free_energy_per_link(
&self,
end_to_end_length: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_helmholtz_free_energy(
&self,
nondimensional_end_to_end_length_per_link: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_helmholtz_free_energy_per_link(
&self,
nondimensional_end_to_end_length_per_link: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_relative_helmholtz_free_energy(
&self,
nondimensional_end_to_end_length_per_link: &f64,
) -> f64
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.
sourcepub fn nondimensional_relative_helmholtz_free_energy_per_link(
&self,
nondimensional_end_to_end_length_per_link: &f64,
) -> f64
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.
sourcepub fn equilibrium_distribution(&self, end_to_end_length: &f64) -> f64
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.
sourcepub fn nondimensional_equilibrium_distribution(
&self,
nondimensional_end_to_end_length_per_link: &f64,
) -> f64
pub fn nondimensional_equilibrium_distribution( &self, nondimensional_end_to_end_length_per_link: &f64, ) -> f64
The nondimensional equilibrium probability density of nondimensional end-to-end vectors per link as a function of the nondimensional end-to-end length per link.
sourcepub fn equilibrium_radial_distribution(&self, end_to_end_length: &f64) -> f64
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.
sourcepub fn nondimensional_equilibrium_radial_distribution(
&self,
nondimensional_end_to_end_length_per_link: &f64,
) -> f64
pub fn nondimensional_equilibrium_radial_distribution( &self, nondimensional_end_to_end_length_per_link: &f64, ) -> f64
The nondimensional equilibrium probability density of nondimensional end-to-end lengths per link as a function of the nondimensional end-to-end length per link.