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# -*- coding: utf-8 -*-
"""
Created on Thu Jun 19 15:15:38 2014
@author: konkle
"""
import os, sys; sys.path.append(os.path.join('..', '..')) # analysis:ignore
import xrt.backends.raycing.materials as rm
xtalSi = rm.CrystalSi(hkl=(1, 1, 1), tK=300, rho=2.3296)
xtalSiGeneral = rm.CrystalFromCell(
'silicon', (1, 1, 1), a=5.4311946,
atoms=['Si']*8,
atomsXYZ=[[0.0, 0.0, 0.0],
[0.0, 0.5, 0.5],
[0.5, 0.0, 0.5],
[0.5, 0.5, 0.0],
[.25, .25, .25],
[.25, .75, .75],
[.75, .25, .75],
[.75, .75, .25]])
E0 = 4000.
xtal = xtalSi
print(xtal.get_structure_factor(E0, 0.5/xtal.d))
xtal = xtalSiGeneral
print(xtal.get_structure_factor(E0, 0.5/xtal.d))
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