import numpy
from crystalpy.diffraction.GeometryType import BraggDiffraction, LaueDiffraction
from crystalpy.diffraction.DiffractionSetupXraylib import DiffractionSetupXraylib
from crystalpy.diffraction.Diffraction import Diffraction as Diffraction
import scipy.constants as codata
from crystalpy.util.Vector import Vector
from crystalpy.util.Photon import Photon
def calculate_bragg_dcm(energy_setup=8000.0,energies=numpy.linspace(7990,8010,200),calculation_method=0,
calculation_strategy_flag=0):
diffraction_setup_r = DiffractionSetupXraylib(geometry_type=BraggDiffraction(), # GeometryType object
crystal_name="Si", # string
thickness=100e-6, # meters
miller_h=1, # int
miller_k=1, # int
miller_l=1, # int
asymmetry_angle=0, # 10.0*numpy.pi/180., # radians
azimuthal_angle=0.0) # radians # int
diffraction = Diffraction()
scan = numpy.zeros_like(energies)
r = numpy.zeros_like(energies)
bragg_angle = diffraction_setup_r.angleBragg(energy_setup)
print("Bragg angle for E=%f eV is %f deg" % (energy_setup, bragg_angle * 180.0 / numpy.pi))
for i in range(energies.size):
#
# gets Bragg angle needed to create deviation's scan
#
energy = energies[i]
# Create a Diffraction object (the calculator)
deviation = 0.0 # angle_deviation_min + ia * angle_step
angle = deviation + bragg_angle
# calculate the components of the unitary vector of the incident photon scan
# Note that diffraction plane is YZ
yy = numpy.cos(angle)
zz = - numpy.abs(numpy.sin(angle))
photon = Photon(energy_in_ev=energy,direction_vector=Vector(0.0,yy,zz))
# perform the calculation
coeffs_r = Diffraction.calculateDiffractedComplexAmplitudes(diffraction_setup_r,
photon,
calculation_method=calculation_method,
calculation_strategy_flag=calculation_strategy_flag)
scan[i] = energy
r[i] = numpy.abs( coeffs_r['S'] )**4
return scan,r
def calculate_laue_monochromator(energy_setup=8000.0,energies=numpy.linspace(7990,8010,200), calculation_method=0,
calculation_strategy_flag=0):
diffraction_setup_r = DiffractionSetupXraylib(geometry_type=LaueDiffraction(), # GeometryType object
crystal_name="Si", # string
thickness=10e-6, # meters
miller_h=1, # int
miller_k=1, # int
miller_l=1, # int
asymmetry_angle=numpy.pi/2, # 10.0*numpy.pi/180., # radians
azimuthal_angle=0.0) # radians # int
scan = numpy.zeros_like(energies)
r = numpy.zeros_like(energies)
bragg_angle = diffraction_setup_r.angleBragg(energy_setup)
print("Bragg angle for E=%f eV is %f deg" % (energy_setup, bragg_angle * 180.0 / numpy.pi))
for i in range(energies.size):
#
# gets Bragg angle needed to create deviation's scan
#
energy = energies[i]
# Create a Diffraction object (the calculator)
deviation = 0.0 # angle_deviation_min + ia * angle_step
angle = deviation + numpy.pi / 2 + bragg_angle
# calculate the components of the unitary vector of the incident photon scan
# Note that diffraction plane is YZ
yy = numpy.cos(angle)
zz = - numpy.abs(numpy.sin(angle))
photon = Photon(energy_in_ev=energy,direction_vector=Vector(0.0,yy,zz))
# perform the calculation
coeffs_r = Diffraction.calculateDiffractedComplexAmplitudes(diffraction_setup_r,
photon,
calculation_method=calculation_method,
calculation_strategy_flag=calculation_strategy_flag)
scan[i] = energy
r[i] = numpy.abs( coeffs_r['S'] )**4
return scan,r
if __name__ == "__main__":
from srxraylib.plot.gol import plot
calculation_method = 0 # 0=Zachariasen, 1=Guigay
calculation_strategy_flag = 2 # 0=mpmath 1=numpy 2=numpy-truncated
if True:
scan,r = calculate_bragg_dcm(calculation_method=calculation_method, calculation_strategy_flag=calculation_strategy_flag)
plot(scan,r, title="Bragg")
if True:
scan,r = calculate_laue_monochromator(calculation_method=calculation_method, calculation_strategy_flag=calculation_strategy_flag)
plot(scan,r, title="Laue")
