Crate chemrust_core

The core module of chemrust is responsible for the abstraction of the data input/output for the chemical models, regardless of the detailed file formats. The designs and implementations of the structs, traits and patterns serve the internal running logics of the library. Only essential data structures and data manipulations are presented here.

Modules

data

This module provides the basic supports for builder patterns. This module settles the abstraction of essential data in the chemical molecule and lattice models For a chemical structure model, we need the following hierarchy:

systems