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#[cfg(feature = "python")]
pub mod py;
mod test;
/// The Lennard-Jones link potential freely-jointed chain (Lennard-Jones-FJC) model thermodynamics.
pub mod thermodynamics;
/// The structure of the Lennard-Jones-FJC model.
pub struct LENNARDJONESFJC
{
/// The mass of each hinge in the chain in units of kg/mol.
pub hinge_mass: f64,
/// The length of each link in the chain in units of nm.
pub link_length: f64,
/// The number of links in the chain.
pub number_of_links: u8,
/// The stiffness of each link in the chain in units of J/(molâ‹…nm^2).
pub link_stiffness: f64,
/// The thermodynamic functions of the model.
pub thermodynamics: self::thermodynamics::LENNARDJONESFJC
}
/// The implemented functionality of the Lennard-Jones-FJC model.
impl LENNARDJONESFJC
{
/// Initializes and returns an instance of the Lennard-Jones-FJC model.
pub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64, link_stiffness: f64) -> Self
{
LENNARDJONESFJC
{
hinge_mass,
link_length,
number_of_links,
link_stiffness,
thermodynamics: self::thermodynamics::LENNARDJONESFJC::init(number_of_links, link_length, hinge_mass, link_stiffness),
}
}
}