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#[cfg(feature = "python")]
pub mod py;
mod test;
/// The square-well freely-jointed chain (SWFJC) model thermodynamics in the isometric ensemble.
pub mod isometric;
/// The square-well freely-jointed chain (SWFJC) model thermodynamics in the isotensional ensemble.
pub mod isotensional;
/// The structure of the thermodynamics of the SWFJC model.
pub struct SWFJC
{
/// 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 width of the well in units of nm.
pub well_width: f64,
/// The thermodynamic functions of the model in the isometric ensemble.
pub isometric: isometric::SWFJC,
/// The thermodynamic functions of the model in the isotensional ensemble.
pub isotensional: isotensional::SWFJC
}
/// The implemented functionality of the thermodynamics of the SWFJC model.
impl SWFJC
{
/// Initializes and returns an instance of the thermodynamics of the SWFJC model.
pub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64, well_width: f64) -> Self
{
SWFJC
{
hinge_mass,
link_length,
number_of_links,
well_width,
isometric: self::isometric::SWFJC::init(number_of_links, link_length, hinge_mass, well_width),
isotensional: self::isotensional::SWFJC::init(number_of_links, link_length, hinge_mass, well_width)
}
}
}