cosmolkit-core 0.2.12

//! Source-backed RDKit CrystalFF torsion primitives.

mod torsion_angle_contribs;
mod torsion_angle_m6;
mod torsion_preferences;

pub use torsion_angle_contribs::{
    TorsionAngleContribs, TorsionAngleContribsParams, calc_torsion_energy, calc_torsion_energy_m6,
};
pub use torsion_angle_m6::TorsionAngleContribM6;
pub(crate) use torsion_preferences::{CrystalFFDetails, get_experimental_torsions_without_bonds};