Internal API Overview
This section documents the internal architecture of MinimalSym.
The internal API implements the full symmetry pipeline, from point group detection to symmetry-aware geometry transformation and candidate generation.
Warning
These interfaces are not stable and may change between versions.
Architecture Overview
MinimalSym is organized into three conceptual layers:
Module Organization
Internal modules are grouped by functionality:
API Helpers
Bridge public API and core engine
- Input validation and tolerance handling
- Symmetrization workflow
- Candidate evaluation
See: API helpers
Symmetry Detection
Determine the point group of a molecule
Symmetry Representation
Encode symmetry in a structured form
Group Construction
Build symmetry elements from group definitions
Geometry & Molecular Operations
Manipulate and analyze molecular coordinates
Decomposition & Candidate Generation
Generate compatible subgroups and symmetry candidates
Utilities
Low-level numerical and algebraic helpers