chemrust_core/data/
mod.rs

1//! For a chemical structure model, we need the following hierarchy:
2//! - atoms
3//! - structure formed by a collection of atoms
4//! - lattice if existed
5//! Practically speaking, in dealing with the import/export of a
6//! structure file, we need to parse the following properties for
7//! atoms: element symbols/atomic number, index in collection, coordinates.
8//!
9//! For a structure with the lattice information, the lattice vectors are
10//! mandatory; symmetry information is optional.
11
12pub mod atom;
13// pub mod custom_data_type;
14pub mod geom;
15pub mod lattice;
16pub mod symmetry;
17
18mod lattice_model;
19
20pub use lattice_model::LatticeModel;