Struct polymers::physics::single_chain::ufjc::morse::thermodynamics::isometric::asymptotic::reduced::legendre::MORSEFJC
source · pub struct MORSEFJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
pub link_stiffness: f64,
pub link_energy: f64,
}
Expand description
The structure of the Morse-FJC model thermodynamics in the isometric ensemble approximated using a reduced asymptotic approach and a Legendre transformation.
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.
link_stiffness: f64
The stiffness of each link in the chain in units of J/(mol⋅nm^2).
link_energy: f64
The energy of each link in the chain in units of J/mol.
Implementations§
source§impl MORSEFJC
impl MORSEFJC
The implemented functionality of the Morse-FJC model thermodynamics in the isometric 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,
link_energy: f64
) -> Self
pub fn init( number_of_links: u8, link_length: f64, hinge_mass: f64, link_stiffness: f64, link_energy: f64 ) -> Self
Initializes and returns an instance of the Morse-FJC model thermodynamics in the isometric ensemble approximated using a reduced asymptotic approach and a Legendre transformation.
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,
temperature: &f64
) -> f64
pub fn nondimensional_force( &self, nondimensional_end_to_end_length_per_link: &f64, temperature: &f64 ) -> f64
The expected nondimensional force as a function of the applied nondimensional end-to-end length per link and temperature.
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,
temperature: &f64
) -> f64
pub fn nondimensional_relative_helmholtz_free_energy( &self, nondimensional_end_to_end_length_per_link: &f64, temperature: &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,
temperature: &f64
) -> f64
pub fn nondimensional_relative_helmholtz_free_energy_per_link( &self, nondimensional_end_to_end_length_per_link: &f64, temperature: &f64 ) -> f64
The nondimensional relative Helmholtz free energy per link as a function of the applied nondimensional end-to-end length per link.