1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
|
#/*##########################################################################
#
# The fisx library for X-Ray Fluorescence
#
# Copyright (c) 2014-2016 European Synchrotron Radiation Facility
#
# This file is part of the fisx X-ray developed by V.A. Sole
#
# Permission is hereby granted, free of charge, to any person obtaining a copy
# of this software and associated documentation files (the "Software"), to deal
# in the Software without restriction, including without limitation the rights
# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
# copies of the Software, and to permit persons to whom the Software is
# furnished to do so, subject to the following conditions:
#
# The above copyright notice and this permission notice shall be included in
# all copies or substantial portions of the Software.
#
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
# THE SOFTWARE.
#
#############################################################################*/
#ifndef FISX_EPDL97_H
#define FISX_EPDL97_H
#include <string>
#include <ctype.h>
#include <vector>
#include <map>
namespace fisx
{
class EPDL97
{
public:
EPDL97();
EPDL97(std::string directoryName);
void setDataDirectory(std::string directoryName);
// possibility to change binding energies
void loadBindingEnergies(std::string fileName);
void setBindingEnergies(const int & z, const std::map<std::string, double> & bindingEnergies);
const std::map<std::string, double> & getBindingEnergies(const int & z);
// the actual mass attenuation related functions
std::map<std::string, double> getMassAttenuationCoefficients(const int & z, const double & energy) const;
std::map<std::string, std::vector<double> > getMassAttenuationCoefficients(const int & z,\
const std::vector<double> & energy) const;
std::map<std::string, std::vector<double> > getMassAttenuationCoefficients(const int & z) const;
// the vacancy distribution related functions
std::map<std::string, double> getPhotoelectricWeights(const int & z, \
const double & energy);
std::map<std::string, std::vector<double> > getPhotoelectricWeights(const int & z, \
const std::vector<double> & energy);
// utility functions
std::string toUpperCaseString(const std::string &) const;
std::pair<long, long> getInterpolationIndices(const std::vector<double> &, const double &) const;
private:
// internal function to load the data
bool initialized;
void loadData(std::string directoryName);
void loadCrossSections(std::string fileName);
// The directory name
std::string directoryName;
// The used file for binding energies
std::string bindingEnergiesFile;
// The used file for cross sections
std::string crossSectionsFile;
// The table containing all binding energies for all elements and shells
// bindingEnergy[Z - 1]["K"] gives the binding energy for the K shell of element
// with atomic number Z.
std::vector<std::map<std::string, double> > bindingEnergy;
// Mass attenuation data as read from the files
// We have a table for each element but all of them share the same
// file header structure
std::vector<std::string> muInputLabels;
std::map<std::string, int> muLabelToIndex;
std::vector<std::vector<std::vector <double> > > muInputValues;
std::vector<std::vector<double> > muEnergy;
// Partial photoelectric mass attenuation coefficients
// For each shell (= key), there is a vector for the energies
// and a vector for the value of the mass attenuation coefficients
// Expected map key values are:
// K, L1, L2, L3, M1, M2, M3, M4, M5, "all other"
void initPartialPhotoelectricCoefficients();
};
} // namespace fisx
#endif // FISX_EPDL97_H
|
