bio_forge/ops/mod.rs
1//! High-level operations that clean, repair, solvate, and otherwise prepare structures.
2//!
3//! This module groups together the public entry points for structure processing:
4//! cleaning, hydrogen addition, repairs, solvation, coordinate transforms, and
5//! topology reconstruction. Each submodule exposes a cohesive API and shares a
6//! common error type so downstream consumers can compose workflows easily.
7
8mod clean;
9mod error;
10mod hydro;
11mod repair;
12mod solvate;
13mod topology;
14mod transform;
15
16pub use clean::{CleanConfig, clean_structure};
17
18pub use repair::repair_structure;
19
20pub use hydro::{HisStrategy, HydroConfig, add_hydrogens};
21
22pub use solvate::{Anion, Cation, SolvateConfig, solvate_structure};
23
24pub use transform::Transform;
25
26pub use topology::TopologyBuilder;
27
28pub use error::Error;