Struct polymers::physics::single_chain::swfjc::thermodynamics::isotensional::legendre::SWFJC
source · pub struct SWFJC {
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8,
pub well_width: f64,
pub nondimensional_well_parameter: f64,
/* private fields */
}
Expand description
The structure of the thermodynamics of the SWFJC model in the isotensional ensemble approximated using 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.
well_width: f64
The width of the well in units of nm.
nondimensional_well_parameter: f64
Implementations§
source§impl SWFJC
impl SWFJC
The implemented functionality of the thermodynamics of the SWFJC model in the isotensional ensemble approximated using a Legendre transformation.
sourcepub fn init(
number_of_links: u8,
link_length: f64,
hinge_mass: f64,
well_width: f64
) -> Self
pub fn init(
number_of_links: u8,
link_length: f64,
hinge_mass: f64,
well_width: f64
) -> Self
Initializes and returns an instance of the thermodynamics of the SWFJC model in the isotensional ensemble approximated using a Legendre transformation.
sourcepub fn helmholtz_free_energy(&self, force: &f64, temperature: &f64) -> f64
pub fn helmholtz_free_energy(&self, force: &f64, temperature: &f64) -> f64
The helmholtz free energy as a function of the applied force and temperature.
sourcepub fn helmholtz_free_energy_per_link(
&self,
force: &f64,
temperature: &f64
) -> f64
pub fn helmholtz_free_energy_per_link(
&self,
force: &f64,
temperature: &f64
) -> f64
The helmholtz free energy per link as a function of the applied force and temperature.
sourcepub fn relative_helmholtz_free_energy(
&self,
force: &f64,
temperature: &f64
) -> f64
pub fn relative_helmholtz_free_energy(
&self,
force: &f64,
temperature: &f64
) -> f64
The relative helmholtz free energy as a function of the applied force and temperature.
sourcepub fn relative_helmholtz_free_energy_per_link(
&self,
force: &f64,
temperature: &f64
) -> f64
pub fn relative_helmholtz_free_energy_per_link(
&self,
force: &f64,
temperature: &f64
) -> f64
The relative helmholtz free energy per link as a function of the applied force and temperature.
sourcepub fn nondimensional_helmholtz_free_energy(
&self,
nondimensional_force: &f64,
temperature: &f64
) -> f64
pub fn nondimensional_helmholtz_free_energy(
&self,
nondimensional_force: &f64,
temperature: &f64
) -> f64
The nondimensional helmholtz free energy as a function of the applied nondimensional force and temperature.
sourcepub fn nondimensional_helmholtz_free_energy_per_link(
&self,
nondimensional_force: &f64,
temperature: &f64
) -> f64
pub fn nondimensional_helmholtz_free_energy_per_link(
&self,
nondimensional_force: &f64,
temperature: &f64
) -> f64
The nondimensional helmholtz free energy per link as a function of the applied nondimensional force and temperature.
sourcepub fn nondimensional_relative_helmholtz_free_energy(
&self,
nondimensional_force: &f64
) -> f64
pub fn nondimensional_relative_helmholtz_free_energy(
&self,
nondimensional_force: &f64
) -> f64
The nondimensional relative helmholtz free energy as a function of the applied nondimensional force.
sourcepub fn nondimensional_relative_helmholtz_free_energy_per_link(
&self,
nondimensional_force: &f64
) -> f64
pub fn nondimensional_relative_helmholtz_free_energy_per_link(
&self,
nondimensional_force: &f64
) -> f64
The nondimensional relative helmholtz free energy per link as a function of the applied nondimensional force.