Crystal#

class anri.crystal.Crystal(unit_cell, symmetry)[source]#

Bases: UnitCell, Symmetry

Class to hold and manipulate a crystal, which we think of as a UnitCell() with a Symmetry().

Attributes

Crystal.allds

Get an array of all generated d* values.

Crystal.allhkls

Get an array of all generated (h, k, l).

Crystal.alltth

Get an array of all generated two-theta values.

Methods

Crystal.make_hkls(dsmax, wavelength[, ...])

Generate integer ring HKLs, two-theta and d* values within a given max d* range and a supplied wavelength.