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Module model

Module model 

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Model layer (Layer 1): atomic hierarchy, conformation, and bond connectivity.

This module provides the core data structures for representing molecular structures. It sits on top of the Layer 0 primitives in crate::data.

§Architecture

Model  ──── Arc<AtomicHierarchy>  (topology: atoms, residues, chains, bonds)
       └─── AtomicConformation    (coordinates: x, y, z per atom)

Multiple Models (trajectory frames) share one AtomicHierarchy via Arc.

Re-exports§

pub use bonds::Bonds;
pub use conformation::AtomicConformation;
pub use hierarchy::AtomicHierarchy;
pub use model::Model;
pub use tables::AtomsTable;
pub use tables::ChainsTable;
pub use tables::ResidueGroup;
pub use tables::ResiduesTable;

Modules§

bonds
Bond connectivity stored in struct-of-arrays (SoA) layout with CSR indexing.
conformation
Per-model coordinate data that varies across trajectory frames.
hierarchy
Atomic hierarchy: topology layer shared across trajectory frames.
model
The Model struct: one frame of a (possibly multi-frame) structure.
tables
Table structs for per-atom, per-residue, and per-chain data.