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#[cfg(feature = "python")]
pub mod py;
mod test;
/// The freely-jointed chain (FJC) model thermodynamics in the modified canonical ensemble approximated using an asymptotic approach valid for weak potentials.
pub mod weak_potential;
/// The freely-jointed chain (FJC) model thermodynamics in the modified canonical ensemble approximated using an asymptotic approach valid for strong potentials.
pub mod strong_potential;
/// The structure of the thermodynamics of the FJC model in the modified canonical ensemble approximated using an asymptotic approach.
pub struct FJC
{
/// 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 thermodynamic functions of the model in the isotensional ensemble approximated using an asymptotic approach valid for weak potentials.
pub weak_potential: weak_potential::FJC,
/// The thermodynamic functions of the model in the isotensional ensemble approximated using an asymptotic approach valid for strong potentials.
pub strong_potential: strong_potential::FJC
}
/// The implemented functionality of the thermodynamics of the FJC model in the modified canonical ensemble approximated using an asymptotic approach.
impl FJC
{
/// Initializes and returns an instance of the thermodynamics of the FJC model in the modified canonical ensemble approximated using an asymptotic approach.
pub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64) -> Self
{
FJC
{
hinge_mass,
link_length,
number_of_links,
weak_potential: weak_potential::FJC::init(number_of_links, link_length, hinge_mass),
strong_potential: strong_potential::FJC::init(number_of_links, link_length, hinge_mass)
}
}
}