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#[cfg(feature = "python")]
pub mod py;
mod test;
/// The Morse link potential freely-jointed chain (Morse-FJC) model thermodynamics in the isometric ensemble.
pub mod isometric;
/// The Morse link potential freely-jointed chain (Morse-FJC) model thermodynamics in the isotensional ensemble.
pub mod isotensional;
/// The structure of the Morse-FJC model thermodynamics.
pub struct MORSEFJC
{
/// 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 energy of each link in the chain in units of J/mol.
pub link_energy: f64,
/// The thermodynamic functions of the model in the isometric ensemble.
pub isometric: self::isometric::MORSEFJC,
/// The thermodynamic functions of the model in the isotensional ensemble.
pub isotensional: self::isotensional::MORSEFJC
}
/// The implemented functionality of the Morse-FJC model thermodynamics.
impl MORSEFJC
{
/// Initializes and returns an instance of the Morse-FJC model thermodynamics.
pub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64, link_stiffness: f64, link_energy: f64) -> Self
{
MORSEFJC
{
hinge_mass,
link_length,
number_of_links,
link_stiffness,
link_energy,
isometric: self::isometric::MORSEFJC::init(number_of_links, link_length, hinge_mass, link_stiffness, link_energy),
isotensional: self::isotensional::MORSEFJC::init(number_of_links, link_length, hinge_mass, link_stiffness, link_energy)
}
}
}