Expand description
Python bindings for QSym² symmetry analysis of electron densities.
Structs§
- PyDensity
Complex - Python-exposed structure to marshall complex electron density information between Rust and Python.
- PyDensity
Real - Python-exposed structure to marshall real electron density information between Rust and Python.
Enums§
- PyDensity
- Python-exposed enumerated type to handle the union type
PyDensityReal | PyDensityComplex
in Python.
Functions§
- rep_
analyse_ densities - Python-exposed function to perform representation symmetry analysis for real and complex
electron densities and log the result via the
qsym2-output
logger at theINFO
level.