Struct polymers::physics::single_chain::fjc::thermodynamics::modified_canonical::asymptotic::weak_potential::FJC
source · pub struct FJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
/* private fields */
}
Expand description
The structure of the thermodynamics of the FJC model in the modified canonical ensemble approximated using an asymptotic approach valid for weak potentials.
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.
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 weak 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 weak potentials.
sourcepub fn force(&self, potential_distance: &f64, potential_stiffness: &f64) -> f64
pub fn force(&self, potential_distance: &f64, potential_stiffness: &f64) -> f64
The expected force as a function of the applied potential distance and potential stiffness
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 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 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.