cosmolkit-core 0.2.7

Redesigned COSMolKit core with value-style molecule state and explicit topology operation contracts
Documentation 
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//! 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, build_crystalff_query_molecule, get_experimental_torsions_without_bonds,
};