Module qsym2::bindings::python::representation_analysis::density

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Python bindings for QSym² symmetry analysis of electron densities.

Structs§

  • PyDensityComplex
    Python-exposed structure to marshall complex electron density information between Rust and Python.
  • PyDensityReal
    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 the INFO level.