pyextal.symmetry

Symmetry Operations and Grouping.

This module provides tools for handling crystallographic symmetry operations. It includes a class for grouping symmetry-equivalent reflections and functions for applying symmetry operations to find all equivalent reflections for a given vector. The functionalities rely on the spgr common block from the Fortran Bloch wave code, which must be initialized before use.

Functions

appliedSymmetry(gg[, sf])	Calculates symmetry-equivalent reflections and their structure factors.
getSymmetry()	Retrieves the active symmetry operations.

Classes

GroupSymmetry(beams)

Groups symmetry-equivalent beams and manages their relationships.