"""
Represents a diffraction setup (from where it inherits) and includes a photon beam
with scanning photon energy and deviation angle (scattering plane is YZ plane)
Units are in SI except for photon energy in eV. Angles in radians.
"""
import numpy
from crystalpy.diffraction.DiffractionSetupXraylib import DiffractionSetupXraylib
from crystalpy.util.Photon import Photon
from crystalpy.util.PhotonBunch import PhotonBunch
[docs]class DiffractionSetupSweeps(DiffractionSetupXraylib):
"""
Constructor.
Parameters
----------
geometry_type: instance of BraggDiffraction, LaueDiffraction, BraggTransmission, or LaueTransmission
crystal_name: str
The name of the crystal, e.g. "Si".
thickness: float
The crystal thickness in m.
miller_h: int
Miller index H.
miller_k: int
Miller index K.
miller_l: int
Miller index L.
asymmetry_angle: float
The asymmetry angle between surface normal and Bragg normal (radians).
azimuthal_angle: float
The angle between the projection of the Bragg normal on the crystal surface plane and the Y axis (radians).
It can also be called the inclination angle.
energy_min: float
The minimum energy in eV.
energy_max: float
The maximum energy in eV.
energy_points: int
Number of energy points.
angle_deviation_min: float
Minimal angle deviation in rad.
angle_deviation_max: float
Maximal angle in rad.
angle_deviation_points: int
Number of deviations points.
"""
def __init__(self,
geometry_type, crystal_name, thickness,
miller_h, miller_k, miller_l,
asymmetry_angle,
azimuthal_angle,
energy_min,
energy_max,
energy_points,
angle_deviation_min,
angle_deviation_max,
angle_deviation_points):
energies = numpy.linspace(energy_min,
energy_max,
energy_points)
deviations = numpy.linspace(angle_deviation_min,
angle_deviation_max,
angle_deviation_points)
# Create an "info setup" solely for the determination of deviation angles.
info_setup = DiffractionSetupXraylib(geometry_type=geometry_type,
crystal_name=crystal_name,
thickness=thickness,
miller_h=miller_h,
miller_k=miller_k,
miller_l=miller_l,
asymmetry_angle=asymmetry_angle,
azimuthal_angle=azimuthal_angle,)
# incoming_photons=[Photon(energy_min, Vector(0, 0, -1))])
# Call base constructor.
DiffractionSetupXraylib.__init__(self,
geometry_type=geometry_type,
crystal_name=crystal_name,
thickness=thickness,
miller_h=miller_h,
miller_k=miller_k,
miller_l=miller_l,
asymmetry_angle=asymmetry_angle,
azimuthal_angle=azimuthal_angle,)
# incoming_photons=photons)
# Create photons according to sweeps.
photons = PhotonBunch() # list()
for energy in energies:
for deviation in deviations:
direction = info_setup.vectorIncomingPhotonDirection(energy, deviation)
incoming_photon = Photon(energy, direction)
# photons.append(incoming_photon)
photons.addPhoton(incoming_photon)
self._incoming_photons = photons
# srio@esrf.eu: in theory, not needed as this info is in _incoming_photons
# but buffering this accelerates a lot the calculations
self._deviations = None
self._energies = None
#
# overwritten methods
#
[docs] def toDictionary(self):
"""Returns this setup in InfoDictionary form.
:return: InfoDictionary form of this setup.
Parameters
----------
Returns
-------
"""
info_dict = super().toDictionary()
info_dict["Minimum energy"] = str(self.energyMin())
info_dict["Maximum energy"] = str(self.energyMax())
info_dict["Number of energy points"] = str(self.energyPoints())
info_dict["Angle deviation minimum"] = "%.2e" % (self.angleDeviationMin())
info_dict["Angle deviation maximum"] = "%.2e" % (self.angleDeviationMax())
info_dict["Angle deviation points"] = str(self.angleDeviationPoints())
return info_dict
def __eq__(self, candidate):
"""
Determines if two setups are equal.
:param candidate: Instance to compare to.
:return: True if the two instances are equal. False otherwise.
"""
if self._geometry_type != candidate.geometryType():
return False
if self._crystal_name != candidate.crystalName():
return False
if self._thickness != candidate.thickness():
return False
if self._miller_h != candidate.millerH():
return False
if self._miller_k != candidate.millerK():
return False
if self._miller_l != candidate.millerL():
return False
if self._asymmetry_angle != candidate.asymmetryAngle():
return False
if self._azimuthal_angle != candidate.azimuthalAngle():
return False
if self.energyMin() != candidate.energyMin():
return False
if self.energyMax() != candidate.energyMax():
return False
if self.energyPoints() != candidate.energyPoints():
return False
if self.angleDeviationMin() != candidate.angleDeviationMin():
return False
if self.angleDeviationMax() != candidate.angleDeviationMax():
return False
if self.angleDeviationPoints() != candidate.angleDeviationPoints():
return False
# All members are equal so are the instances.
return True
#
# end overwritten methods
#
[docs] def incomingPhotons(self):
"""Returns the incoming photons.
:return: A list of photons.
Parameters
----------
Returns
-------
"""
#TODO return the PhotonBunch object ?
return self._incoming_photons.getListOfPhotons()
[docs] def energyMin(self):
"""Returns the minimum energy in eV.
:return: The minimum energy in eV.
Parameters
----------
Returns
-------
"""
return self.energies().min()
[docs] def energyMax(self):
"""Returns the maximum energy in eV.
:return: The maximum energy in eV.
Parameters
----------
Returns
-------
"""
return self.energies().max()
[docs] def energyPoints(self):
"""Returns the number of energy points.
:return: Number of energy points.
Parameters
----------
Returns
-------
"""
return self.energies().shape[0]
[docs] def energies(self):
"""Returns the energies of this setup.
:return: The angle deviations grid.
Parameters
----------
Returns
-------
"""
if self._energies is None:
self._energies = numpy.unique(numpy.array([photon.energy() for photon in self._incoming_photons.getListOfPhotons()]))
return self._energies
[docs] def angleDeviationMin(self):
"""Returns the minimal angle deviation.
:return: Minimal angle deviation.
Parameters
----------
Returns
-------
"""
return self.angleDeviationGrid().min()
[docs] def angleDeviationMax(self):
"""Returns the maximal angle deviation.
:return: Maximal angle deviation.
Parameters
----------
Returns
-------
"""
return self.angleDeviationGrid().max()
[docs] def angleDeviationPoints(self):
"""Returns the angle deviation points.
:return: Angle deviation points.
Parameters
----------
Returns
-------
"""
return self.angleDeviationGrid().shape[0]
[docs] def angleDeviationGrid(self):
"""Returns the grid of angle deviations according to this setup.
:return: The angle deviations grid.
Parameters
----------
Returns
-------
"""
if self._deviations is None:
self._deviations = numpy.array([self.deviationOfIncomingPhoton(photon) for photon in self._incoming_photons.getListOfPhotons()])
return self._deviations