#!/usr/bin/env python3
"""
XRF support functions.
@author: Nicola VIGANÒ, ESRF - The European Synchrotron, Grenoble, France,
and CEA-IRIG, Grenoble, France
"""
try:
from . import xraylib_helper # noqa: F401, F402
xraylib = xraylib_helper.xraylib
except ImportError:
print("WARNING: Physics support is only available when xraylib is installed!")
raise
from collections.abc import Sequence
from dataclasses import dataclass
from typing import Union
import numpy as np
from numpy.typing import NDArray
[docs]
@dataclass
class FluoLine:
"""Fluorescence line description class."""
name: str
indx: int
[docs]
class LinesSiegbahn:
"""Siegbahn fluorescence lines collection class."""
lines = [
FluoLine(name="KA1", indx=xraylib.KA1_LINE),
FluoLine(name="KA2", indx=xraylib.KA2_LINE),
FluoLine(name="KA3", indx=xraylib.KA3_LINE),
FluoLine(name="KB1", indx=xraylib.KB1_LINE),
FluoLine(name="KB2", indx=xraylib.KB2_LINE),
FluoLine(name="KB3", indx=xraylib.KB3_LINE),
FluoLine(name="KB4", indx=xraylib.KB4_LINE),
FluoLine(name="KB5", indx=xraylib.KB5_LINE),
FluoLine(name="LA1", indx=xraylib.LA1_LINE),
FluoLine(name="LA2", indx=xraylib.LA2_LINE),
FluoLine(name="LB1", indx=xraylib.LB1_LINE),
FluoLine(name="LB2", indx=xraylib.LB2_LINE),
FluoLine(name="LB3", indx=xraylib.LB3_LINE),
FluoLine(name="LB4", indx=xraylib.LB4_LINE),
FluoLine(name="LB5", indx=xraylib.LB5_LINE),
FluoLine(name="LB6", indx=xraylib.LB6_LINE),
FluoLine(name="LB7", indx=xraylib.LB7_LINE),
FluoLine(name="LB9", indx=xraylib.LB9_LINE),
FluoLine(name="LB10", indx=xraylib.LB10_LINE),
FluoLine(name="LB15", indx=xraylib.LB15_LINE),
FluoLine(name="LB17", indx=xraylib.LB17_LINE),
FluoLine(name="LG1", indx=xraylib.LG1_LINE),
FluoLine(name="LG2", indx=xraylib.LG2_LINE),
FluoLine(name="LG3", indx=xraylib.LG3_LINE),
FluoLine(name="LG4", indx=xraylib.LG4_LINE),
FluoLine(name="LG5", indx=xraylib.LG5_LINE),
FluoLine(name="LG6", indx=xraylib.LG6_LINE),
FluoLine(name="LG8", indx=xraylib.LG8_LINE),
FluoLine(name="LE", indx=xraylib.LE_LINE),
FluoLine(name="LH", indx=xraylib.LH_LINE),
FluoLine(name="LL", indx=xraylib.LL_LINE),
FluoLine(name="LS", indx=xraylib.LS_LINE),
FluoLine(name="LT", indx=xraylib.LT_LINE),
FluoLine(name="LU", indx=xraylib.LU_LINE),
FluoLine(name="LV", indx=xraylib.LV_LINE),
FluoLine(name="MA1", indx=xraylib.MA1_LINE),
FluoLine(name="MA2", indx=xraylib.MA2_LINE),
FluoLine(name="MB", indx=xraylib.MB_LINE),
FluoLine(name="MG", indx=xraylib.MG_LINE),
]
[docs]
@staticmethod
def get_lines(line: str) -> Sequence[FluoLine]:
"""
Return the list of xraylib line macro definitions for the requested family.
Parameters
----------
line : str
The requested line. It can be a whole shell (transition to that shell),
or sub-shells.
Returns
-------
Sequence
List of corresponding lines.
"""
return [f for f in LinesSiegbahn.lines if f.name[: len(line)] == line.upper()]
[docs]
@staticmethod
def get_energy(
element: Union[str, int],
lines: Union[str, FluoLine, Sequence[FluoLine]],
compute_average: bool = False,
verbose: bool = False,
) -> Union[float, NDArray]:
"""
Return the energy(ies) of the requested line for the given element.
Parameters
----------
element : Union[str, int]
The requested element.
line : str
The requested line. It can be a whole shell (transition to that shell),
or sub-shells.
compute_average : bool, optional
Weighted averaging the lines, using the radiation rate. The default is False.
Returns
-------
energy_keV : Union[float, NDArray]
Either the average energy or the list of different energies.
"""
el_sym, el_num = xraylib_helper.get_element_number_and_symbol(element)
if isinstance(lines, FluoLine):
lines_list = [lines]
elif isinstance(lines, str):
lines_list = LinesSiegbahn.get_lines(lines)
elif len(lines) == 0:
raise ValueError(f"No line was passed! lines={lines}")
else:
lines_list = lines
energy_keV = np.empty(len(lines_list), dtype=np.float32)
for ii, line in enumerate(lines_list):
try:
energy_keV[ii] = xraylib.LineEnergy(el_num, line.indx)
except ValueError as exc:
if verbose:
print(f"INFO - Energy - {exc}: el_num={el_num} ({el_sym}) line={line}")
energy_keV[ii] = 0
if compute_average:
rates = np.empty(energy_keV.shape)
for ii, line in enumerate(lines_list):
try:
rates[ii] = xraylib.RadRate(el_num, line.indx)
except ValueError as exc:
if verbose:
print(f"INFO - RadRate - {exc}: el_num={el_num} ({el_sym}) line={line}")
rates[ii] = 0
energy_keV = float(np.sum(energy_keV * rates / np.sum(rates)))
if verbose:
print(f"{el_sym}-{lines} emission energy (keV):", energy_keV, "\n")
return energy_keV
[docs]
@dataclass
class DetectorXRF:
"""Simple XRF detector model."""
surface_mm2: float
distance_mm: Union[float, NDArray]
angle_rad: float = np.pi / 2
@property
def solid_angle_sr(self) -> Union[float, NDArray]:
"""Compute the solid angle covered by the detector.
Returns
-------
float | NDArray
The computed solid angle of the detector geometry.
"""
return self.surface_mm2 / (np.pi * self.distance_mm**2)