diffcalc.hkl

Diffractometer position calculations.

Routines for calculating miller indices for a given diffractometer position and all diffractometer positions matching miller indices. This implementation follows calculations published in [1].

constraints	Module handling constraint information for diffractometer calculations.
geometry	Module providing diffractometer position definition and rotation matrices.

References

[1]

H. You. “Angle calculations for a ‘4S+2D’ six-circle diffractometer” J. Appl. Cryst. (1999). 32, 614-623.

Modules

diffcalc.hkl.calc_detector	Module implementing intermediate calculations in constrained detector geometry.
diffcalc.hkl.calc_func	Module implementing intermediate calculations used in HKLCalculation class.
diffcalc.hkl.calc_reference	Module implementing intermediate calculations in constrained reference geometry.
diffcalc.hkl.calc_sample	Module implementing intermediate calculations in constrained sample geometry.
diffcalc.hkl.constraints	Module handling constraint information for diffractometer calculations.
diffcalc.hkl.geometry	Module providing diffractometer position definition and rotation matrices.