Module qsym2::bindings::python::symmetry_group_detection

Python bindings for QSym² symmetry-group detection.

See crate::drivers::symmetry_group_detection for more information.

Structs

• PyMolecule
  Python-exposed structure to marshall molecular structure information between Rust and Python.
• PySymmetry
  Python-exposed structure to marshall symmetry information one-way from Rust to Python.
• PySymmetryBuilder
  Builder for PySymmetry.

Enums

• PySymmetryBuilderError
  Error type for PySymmetryBuilder
• PySymmetryElementKind
  Python-exposed structure to marshall symmetry element kind information one-way from Rust to Python.

Functions

• detect_symmetry_group
  Python-exposed function to perform symmetry-group detection and log the result via the qsym2-output logger at the INFO level.