Struct polymers::physics::single_chain::fjc::thermodynamics::modified_canonical::FJC
source · pub struct FJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
pub asymptotic: FJC,
}Expand description
The structure of the thermodynamics of the FJC model in the modified canonical 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.
asymptotic: FJCThe thermodynamic functions of the model in the isotensional ensemble approximated using an asymptotic approach.
Implementations§
source§impl FJC
impl FJC
The implemented functionality of the thermodynamics of the FJC model in the modified canonical 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 modified canonical ensemble.
sourcepub fn end_to_end_length(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn end_to_end_length_per_link(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_end_to_end_length(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
) -> f64
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.
sourcepub fn nondimensional_end_to_end_length_per_link(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
) -> f64
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.
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.
sourcepub fn gibbs_free_energy(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn gibbs_free_energy_per_link(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn relative_gibbs_free_energy(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn relative_gibbs_free_energy_per_link(
&self,
potential_distance: &f64,
potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_gibbs_free_energy(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_gibbs_free_energy_per_link(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
temperature: &f64,
) -> f64
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.
sourcepub fn nondimensional_relative_gibbs_free_energy(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
) -> f64
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.
sourcepub fn nondimensional_relative_gibbs_free_energy_per_link(
&self,
nondimensional_potential_distance: &f64,
nondimensional_potential_stiffness: &f64,
) -> f64
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.