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Peterson, Peter authored
If it has no imaginary part, just use the real. Also take complex conjugates for calculating scattering length squared.
Peterson, Peter authoredIf it has no imaginary part, just use the real. Also take complex conjugates for calculating scattering length squared.
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NeutronAtom.cpp 42.47 KiB
//------------------------------------------------------------------------------
// Includes
//------------------------------------------------------------------------------
#include "MantidKernel/NeutronAtom.h"
#include <algorithm>
#include <cmath>
#include <ostream>
#include <string>
#include <stdexcept>
#include <sstream>
namespace Mantid {
namespace PhysicalConstants {
/// Reference wavelength for absorption cross section values.
const double NeutronAtom::ReferenceLambda = 1.7982;
namespace {
const double INV_FOUR_PI = 1. / (4. * M_PI);
}
void calculateScatteringLengths(NeutronAtom *atom) {
// 1 barn = 100 fm
atom->tot_scatt_length = 10. * std::sqrt(atom->tot_scatt_xs * INV_FOUR_PI);
if (atom->coh_scatt_length_img == 0.)
atom->coh_scatt_length = fabs(atom->coh_scatt_length_real);
else
atom->coh_scatt_length = 10. * std::sqrt(atom->coh_scatt_xs * INV_FOUR_PI);
if (atom->inc_scatt_length_img == 0.)
atom->inc_scatt_length = fabs(atom->inc_scatt_length_real);
else
atom->inc_scatt_length = 10. * std::sqrt(atom->inc_scatt_xs * INV_FOUR_PI);
}
/**
* Atom constructor
* @param z :: The atomic number of the atom
* @param coh_b_real :: The real part of the coherent scattering length
* @param inc_b_real :: The real part of the incoherent scattering length
* @param coh_xs :: The coherent neutron cross-section
* @param inc_xs :: The incoherent neutron cross-section
* @param tot_xs :: The total neutron cross-section
* @param abs_xs :: The absolute neutron cross-section
*/
NeutronAtom::NeutronAtom(const uint16_t z, const double coh_b_real,
const double inc_b_real, const double coh_xs,
const double inc_xs, const double tot_xs,
const double abs_xs)
: z_number(z), a_number(0), coh_scatt_length_real(coh_b_real),
coh_scatt_length_img(0.), inc_scatt_length_real(inc_b_real),
inc_scatt_length_img(0.), coh_scatt_xs(coh_xs), inc_scatt_xs(inc_xs),
tot_scatt_xs(tot_xs), abs_scatt_xs(abs_xs) {
calculateScatteringLengths(this);
}
/**
* Atom constructor
* @param z :: The atomic number of the atom
* @param a :: The mass number of the atom
* @param coh_b_real :: The real part of the coherent scattering length
* @param inc_b_real :: The real part of the incoherent scattering length
* @param coh_xs :: The coherent neutron cross-section
* @param inc_xs :: The incoherent neutron cross-section
* @param tot_xs :: The total neutron cross-section
* @param abs_xs :: The absolute neutron cross-section
*/
NeutronAtom::NeutronAtom(const uint16_t z, const uint16_t a,
const double coh_b_real, const double inc_b_real, const double coh_xs, const double inc_xs,
const double tot_xs, const double abs_xs)
: z_number(z), a_number(a), coh_scatt_length_real(coh_b_real),
coh_scatt_length_img(0.), inc_scatt_length_real(inc_b_real),
inc_scatt_length_img(0.), coh_scatt_xs(coh_xs), inc_scatt_xs(inc_xs),
tot_scatt_xs(tot_xs), abs_scatt_xs(abs_xs) {
calculateScatteringLengths(this);
}
/**
* Atom constructor
* @param z :: The atomic number of the atom
* @param a :: The mass number of the atom
* @param coh_b_real :: The real part of the coherent scattering length
* @param coh_b_img :: The imaginary part of the coherent scattering length
* @param inc_b_real :: The real part of the incoherent scattering length
* @param inc_b_img :: The imaginary part of the incoherent scattering length
* @param coh_xs :: The coherent neutron cross-section
* @param inc_xs :: The incoherent neutron cross-section
* @param tot_xs :: The total neutron cross-section
* @param abs_xs :: The absolute neutron cross-section
*/
NeutronAtom::NeutronAtom(const uint16_t z, const uint16_t a,
const double coh_b_real, const double coh_b_img,
const double inc_b_real, const double inc_b_img,
const double coh_xs, const double inc_xs,
const double tot_xs, const double abs_xs)
: z_number(z), a_number(a), coh_scatt_length_real(coh_b_real),
coh_scatt_length_img(coh_b_img), inc_scatt_length_real(inc_b_real),
inc_scatt_length_img(inc_b_img), coh_scatt_xs(coh_xs),
inc_scatt_xs(inc_xs), tot_scatt_xs(tot_xs), abs_scatt_xs(abs_xs) {
calculateScatteringLengths(this);
}
NeutronAtom::NeutronAtom(const NeutronAtom &other)
: z_number(other.z_number), a_number(other.a_number),
coh_scatt_length_real(other.coh_scatt_length_real),
coh_scatt_length_img(other.coh_scatt_length_img),
inc_scatt_length_real(other.inc_scatt_length_real),
inc_scatt_length_img(other.inc_scatt_length_img),
coh_scatt_xs(other.coh_scatt_xs), inc_scatt_xs(other.inc_scatt_xs),
tot_scatt_xs(other.tot_scatt_xs), abs_scatt_xs(other.abs_scatt_xs) {
calculateScatteringLengths(this);
}
NeutronAtom &NeutronAtom::operator=(const NeutronAtom &other) {
if (this == &other)
return *this;
z_number = other.z_number;
a_number = other.a_number;
coh_scatt_length_real = other.coh_scatt_length_real;
coh_scatt_length_img = other.coh_scatt_length_img;
inc_scatt_length_real = other.inc_scatt_length_real;
inc_scatt_length_img = other.inc_scatt_length_img;
coh_scatt_xs = other.coh_scatt_xs;
inc_scatt_xs = other.inc_scatt_xs;
tot_scatt_xs = other.tot_scatt_xs;
abs_scatt_xs = other.abs_scatt_xs;
calculateScatteringLengths(this);
return *this;
}
/**
* DO NOT USE THIS! This constructor generates a complete garbage NeutronAtom
* that is only available to allow for callers to declare variables then
* initialize them.
*/
NeutronAtom::NeutronAtom() : z_number(0), a_number(0), coh_scatt_length_real(NAN),
coh_scatt_length_img(NAN), inc_scatt_length_real(NAN),
inc_scatt_length_img(NAN), coh_scatt_xs(NAN), inc_scatt_xs(NAN),
tot_scatt_xs(NAN), abs_scatt_xs(NAN), tot_scatt_length(NAN),
coh_scatt_length(NAN), inc_scatt_length(NAN) {}
/// @cond
static const NeutronAtom H(1, -3.7390, 0., 1.7568, 80.26, 82.02, 0.3326);
static const NeutronAtom H1(1, 1, -3.7406, 25.274, 1.7583, 80.27, 82.03,
0.3326);
static const NeutronAtom H2(1, 2, 6.671, 4.04, 5.592, 2.05, 7.64, 0.000519);
static const NeutronAtom H3(1, 3, 4.792, -1.04, 2.89, 0.14, 3.03, 0.);
static const NeutronAtom He(2, 3.26, 0., 1.34, 0., 1.34, 0.00747);
static const NeutronAtom He3(2, 3, 5.74, -1.483, -2.5, 2.568, 4.42, 1.6, 6,
5333.);
static const NeutronAtom He4(2, 4, 3.26, 0., 1.34, 0., 1.34, 0.);
static const NeutronAtom Li(3, -1.90, 0., 0.454, 0.92, 1.37, 70.5);
static const NeutronAtom Li6(3, 6, 2.00, -0.261, -1.89, 0.26, 0.51, 0.46, 0.97,
940.);
static const NeutronAtom Li7(3, 7, -2.22, -2.49, 0.619, 0.78, 1.4, 0.0454);
static const NeutronAtom Be(4, 7.79, 0.12, 7.63, 0.0018, 7.63, 0.0076);
static const NeutronAtom B(5, 0, 5.30, -0.213, 0., 0., 3.54, 1.7, 5.24, 767.);
static const NeutronAtom B10(5, 10, -0.1, -1.066, -4.7, 1.231, 0.144, 3, 3.1,
3835.);
static const NeutronAtom B11(5, 11, 6.65, -1.3, 5.56, 0.21, 5.77, 0.0055);
static const NeutronAtom C(6, 6.6460, 0., 5.551, 0.001, 5.551, 0.0035);
static const NeutronAtom C12(6, 12, 6.6511, 0., 5.559, 0., 5.559, 0.00353);
static const NeutronAtom C13(6, 13, 6.19, -0.52, 4.81, 0.034, 4.84, 0.00137);
static const NeutronAtom N(7, 9.36, 0., 11.01, 0.5, 11.51, 1.9);
static const NeutronAtom N14(7, 14, 9.37, 2.0, 11.03, 0.5, 11.53, 1.91);
static const NeutronAtom N15(7, 15, 6.44, -0.02, 5.21, 0.00005, 5.21, 0.000024);
static const NeutronAtom O(8, 5.803, 0., 4.232, 0.0008, 4.232, 0.00019);
static const NeutronAtom O16(8, 16, 5.803, 0., 4.232, 0., 4.232, 0.0001);
static const NeutronAtom O17(8, 17, 5.78, 0.18, 4.2, 0.004, 4.2, 0.236);
static const NeutronAtom O18(8, 18, 5.84, 0., 4.29, 0., 4.29, 0.00016);
static const NeutronAtom F(9, 5.654, -0.082, 4.017, 0.0008, 4.018, 0.0096);
static const NeutronAtom Ne(10, 4.566, 0., 2.62, 0.008, 2.628, 0.039);
static const NeutronAtom Ne20(10, 20, 4.631, 0., 2.695, 0., 2.695, 0.036);
static const NeutronAtom Ne21(10, 21, 6.66, NAN, 5.6, 0.05, 5.7,
0.67); // (+/-)0.6
static const NeutronAtom Ne22(10, 22, 3.87, 0., 1.88, 0., 1.88, 0.046);
static const NeutronAtom Na(11, 3.63, 3.59, 1.66, 1.62, 3.28, 0.53);
static const NeutronAtom Mg(12, 5.375, 0., 3.631, 0.08, 3.71, 0.063);
static const NeutronAtom Mg24(12, 24, 5.66, 0., 4.03, 0., 4.03, 0.05);
static const NeutronAtom Mg25(12, 25, 3.62, 1.48, 1.65, 0.28, 1.93, 0.19);
static const NeutronAtom Mg26(12, 26, 4.89, 0., 3, 0., 3, 0.0382);
static const NeutronAtom Al(13, 3.449, 0.256, 1.495, 0.0082, 1.503, 0.231);
static const NeutronAtom Si(14, 4.1491, 0., 2.163, 0.004, 2.167, 0.171);
static const NeutronAtom Si28(14, 28, 4.107, 0., 2.12, 0., 2.12, 0.177);
static const NeutronAtom Si29(14, 29, 4.70, 0.09, 2.78, 0.001, 2.78, 0.101);
static const NeutronAtom Si30(14, 30, 4.58, 0., 2.64, 0., 2.64, 0.107);
static const NeutronAtom P(15, 5.13, 0.2, 3.307, 0.005, 3.312, 0.172);
static const NeutronAtom S(16, 2.847, 0., 1.0186, 0.007, 1.026, 0.53);
static const NeutronAtom S32(16, 32, 2.804, 0., 0.988, 0., 0.988, 0.54);
static const NeutronAtom S33(16, 33, 4.74, 1.5, 2.8, 0.3, 3.1, 0.54);
static const NeutronAtom S34(16, 34, 3.48, 0., 1.52, 0., 1.52, 0.227);
static const NeutronAtom S36(16, 36, 3., 0., 1.1, 0., 1.1, 0.15);
static const NeutronAtom Cl(17, 9.5770, 0., 11.5257, 5.3, 16.8, 33.5);
static const NeutronAtom Cl35(17, 35, 11.65, 6.1, 17.06, 4.7, 21.8, 44.1);
static const NeutronAtom Cl37(17, 37, 3.08, 0.1, 1.19, 0.001, 1.19, 0.433);
static const NeutronAtom Ar(18, 1.909, 0., 0.458, 0.225, 0.683, 0.675);
static const NeutronAtom Ar36(18, 36, 24.90, 0., 77.9, 0., 77.9, 5.2);
static const NeutronAtom Ar38(18, 38, 3.5, 0., 1.5, 0., 1.5, 0.8);
static const NeutronAtom Ar40(18, 40, 1.830, 0., 0.421, 0., 0.421, 0.66);
static const NeutronAtom K(19, 3.67, 0., 1.69, 0.27, 1.96, 2.1);
static const NeutronAtom K39(19, 39, 3.74, 1.4, 1.76, 0.25, 2.01, 2.1);
static const NeutronAtom K40(19, 40, 3., 0., 1.1, 0.5, 1.6, 35.);
static const NeutronAtom K41(19, 41, 2.69, 1.5, 0.91, 0.3, 1.2, 1.46);
static const NeutronAtom Ca(20, 4.70, 0., 2.78, 0.05, 2.83, 0.43);
static const NeutronAtom Ca40(20, 40, 4.80, 0., 2.9, 0., 2.9, 0.41);static const NeutronAtom Ca42(20, 42, 3.36, 0., 1.42, 0., 1.42, 0.68);
static const NeutronAtom Ca43(20, 43, -1.56, 0., 0.31, 0.5, 0.8, 6.2);
static const NeutronAtom Ca44(20, 44, 1.42, 0., 0.25, 0., 0.25, 0.88);
static const NeutronAtom Ca46(20, 46, 3.6, 0., 1.6, 0., 1.6, 0.74);
static const NeutronAtom Ca48(20, 48, 0.39, 0., 0.019, 0., 0.019, 1.09);
static const NeutronAtom Sc(21, 12.29, -6.0, 19, 4.5, 23.5, 27.5);
static const NeutronAtom Ti(22, -3.438, 0., 1.485, 2.87, 4.35, 6.09);
static const NeutronAtom Ti46(22, 46, 4.93, 0., 3.05, 0., 3.05, 0.59);
static const NeutronAtom Ti47(22, 47, 3.63, -3.5, 1.66, 1.5, 3.2, 1.7);
static const NeutronAtom Ti48(22, 48, -6.08, 0., 4.65, 0., 4.65, 7.84);
static const NeutronAtom Ti49(22, 49, 1.04, 5.1, 0.14, 3.3, 3.4, 2.2);
static const NeutronAtom Ti50(22, 50, 6.18, 0., 4.8, 0., 4.8, 0.179);
static const NeutronAtom V(23, -0.3824, 0., 0.0184, 5.08, 5.1, 5.08);
static const NeutronAtom V50(23, 50, 7.6, 0., 7.3, 0.5, 7.8, 60.);
static const NeutronAtom V51(23, 51, -0.402, 6.35, 0.0203, 5.07, 5.09, 4.9);
static const NeutronAtom Cr(24, 3.635, 0., 1.66, 1.83, 3.49, 3.05);
static const NeutronAtom Cr50(24, 50, -4.50, 0., 2.54, 0., 2.54, 15.8);
static const NeutronAtom Cr52(24, 52, 4.920, 0., 3.042, 0., 3.042, 0.76);
static const NeutronAtom Cr53(24, 53, -4.20, 6.87, 2.22, 5.93, 8.15, 18.1);
static const NeutronAtom Cr54(24, 54, 4.55, 0., 2.6, 0., 2.6, 0.36);
static const NeutronAtom Mn(25, -3.73, 1.79, 1.75, 0.4, 2.15, 13.3);
static const NeutronAtom Fe(26, 9.45, 0., 11.22, 0.4, 11.62, 2.56);
static const NeutronAtom Fe54(26, 54, 4.2, 0., 2.2, 0., 2.2, 2.25);
static const NeutronAtom Fe56(26, 56, 9.94, 0., 12.42, 0., 12.42, 2.59);
static const NeutronAtom Fe57(26, 57, 2.3, 0., 0.66, 0.3, 1, 2.48);
static const NeutronAtom Fe58(26, 58, 15., 0., 28, 0., 28., 1.28);
static const NeutronAtom Co(27, 2.49, -6.2, 0.779, 4.8, 5.6, 37.18);
static const NeutronAtom Ni(28, 10.3, 0., 13.3, 5.2, 18.5, 4.49);
static const NeutronAtom Ni58(28, 58, 14.4, 0., 26.1, 0., 26.1, 4.6);
static const NeutronAtom Ni60(28, 60, 2.8, 0., 0.99, 0., 0.99, 2.9);
static const NeutronAtom Ni61(28, 61, 7.60, NAN, 7.26, 1.9, 9.2,
2.5); // (+/-)3.9
static const NeutronAtom Ni62(28, 62, -8.7, 0., 9.5, 0., 9.5, 14.5);
static const NeutronAtom Ni64(28, 64, -0.37, 0., 0.017, 0., 0.017, 1.52);
static const NeutronAtom Cu(29, 7.718, 0., 7.485, 0.55, 8.03, 3.78);
static const NeutronAtom Cu63(29, 63, 6.43, 0.22, 5.2, 0.006, 5.2, 4.5);
static const NeutronAtom Cu65(29, 65, 10.61, 1.79, 14.1, 0.4, 14.5, 2.17);
static const NeutronAtom Zn(30, 5.680, 0., 4.054, 0.077, 4.131, 1.11);
static const NeutronAtom Zn64(30, 64, 5.22, 0., 3.42, 0., 3.42, 0.93);
static const NeutronAtom Zn66(30, 66, 5.97, 0., 4.48, 0., 4.48, 0.62);
static const NeutronAtom Zn67(30, 67, 7.56, -1.50, 7.18, 0.28, 7.46, 6.8);
static const NeutronAtom Zn68(30, 68, 6.03, 0., 4.57, 0., 4.57, 1.1);
static const NeutronAtom Zn70(30, 70, 6., 0., 4.5, 0., 4.5, 0.092);
static const NeutronAtom Ga(31, 7.288, 0., 6.675, 0.16, 6.83, 2.75);
static const NeutronAtom Ga69(31, 69, 7.88, -0.85, 7.8, 0.091, 7.89, 2.18);
static const NeutronAtom Ga71(31, 71, 6.40, -0.82, 5.15, 0.084, 5.23, 3.61);
static const NeutronAtom Ge(32, 8.185, 0., 8.42, 0.18, 8.6, 2.2);
static const NeutronAtom Ge70(32, 70, 10.0, 0., 12.6, 0., 12.6, 3);
static const NeutronAtom Ge72(32, 72, 8.51, 0., 9.1, 0., 9.1, 0.8);
static const NeutronAtom Ge73(32, 73, 5.02, 3.4, 3.17, 1.5, 4.7, 15.1);
static const NeutronAtom Ge74(32, 74, 7.58, 0., 7.2, 0., 7.2, 0.4);
static const NeutronAtom Ge76(32, 76, 8.2, 0., 8., 0., 8., 0.16);
static const NeutronAtom As(33, 6.58, -0.69, 5.44, 0.06, 5.5, 4.5);
static const NeutronAtom Se(34, 7.970, 0., 7.98, 0.32, 8.3, 11.7);
static const NeutronAtom Se74(34, 74, 0.8, 0., 0.1, 0., 0.1, 51.8);
static const NeutronAtom Se76(34, 76, 12.2, 0., 18.7, 0., 18.7, 85.);
static const NeutronAtom Se77(34, 77, 8.25, NAN, 8.6, 0.05, 8.65,
42.); // (+/-)0.6(1.6)
static const NeutronAtom Se78(34, 78, 8.24, 0., 8.5, 0., 8.5, 0.43);
static const NeutronAtom Se80(34, 80, 7.48, 0., 7.03, 0., 7.03, 0.61);
static const NeutronAtom Se82(34, 82, 6.34, 0., 5.05, 0., 5.05, 0.044);
static const NeutronAtom Br(35, 6.795, 0., 5.8, 0.1, 5.9, 6.9);
static const NeutronAtom Br79(35, 79, 6.80, -1.1, 5.81, 0.15, 5.96, 11);
static const NeutronAtom Br81(35, 81, 6.79, 0.6, 5.79, 0.05, 5.84, 2.7);
static const NeutronAtom Kr(36, 7.81, 0., 7.67, 0.01, 7.68, 25.);
static const NeutronAtom Kr78(36, 78, 0., 0., 0., 0., 0., 6.4);
static const NeutronAtom Kr80(36, 80, 0., 0., 0., 0., 0., 11.8);
static const NeutronAtom Kr82(36, 82, 0., 0., 0., 0., 0., 29.);
static const NeutronAtom Kr83(36, 83, 0., 0., 0., 0., 0., 185.);
static const NeutronAtom Kr84(36, 84, 0., 0., 0., 0., 6.6, 0.113);static const NeutronAtom Kr86(36, 86, 8.1, 0., 8.2, 0., 8.2, 0.003);
static const NeutronAtom Rb(37, 7.09, 0., 6.32, 0.5, 6.8, 0.38);
static const NeutronAtom Rb85(37, 85, 7.03, 0., 6.2, 0.5, 6.7, 0.48);
static const NeutronAtom Rb87(37, 87, 7.23, 0., 6.6, 0.5, 7.1, 0.12);
static const NeutronAtom Sr(38, 7.02, 0., 6.19, 0.06, 6.25, 1.28);
static const NeutronAtom Sr84(38, 84, 7., 0., 6., 0., 6., 0.87);
static const NeutronAtom Sr86(38, 86, 5.67, 0., 4.04, 0., 4.04, 1.04);
static const NeutronAtom Sr87(38, 87, 7.40, 0., 6.88, 0.5, 7.4, 16.);
static const NeutronAtom Sr88(38, 88, 7.15, 0., 6.42, 0., 6.42, 0.058);
static const NeutronAtom Y(39, 7.75, 1.1, 7.55, 0.15, 7.7, 1.28);
static const NeutronAtom Zr(40, 7.16, 0., 6.44, 0.02, 6.46, 0.185);
static const NeutronAtom Zr90(40, 90, 6.4, 0., 5.1, 0., 5.1, 0.011);
static const NeutronAtom Zr91(40, 91, 8.7, -1.08, 9.5, 0.15, 9.7, 1.17);
static const NeutronAtom Zr92(40, 92, 7.4, 0., 6.9, 0., 6.9, 0.22);
static const NeutronAtom Zr94(40, 94, 8.2, 0., 8.4, 0., 8.4, 0.0499);
static const NeutronAtom Zr96(40, 96, 5.5, 0., 3.8, 0., 3.8, 0.0229);
static const NeutronAtom Nb(41, 7.054, -0.139, 6.253, 0.0024, 6.255, 1.15);
static const NeutronAtom Mo(42, 6.715, 0., 5.67, 0.04, 5.71, 2.48);
static const NeutronAtom Mo92(42, 92, 6.91, 0., 6, 0., 6, 0.019);
static const NeutronAtom Mo94(42, 94, 6.80, 0., 5.81, 0., 5.81, 0.015);
static const NeutronAtom Mo95(42, 95, 6.91, 0., 6, 0.5, 6.5, 13.1);
static const NeutronAtom Mo96(42, 96, 6.20, 0., 4.83, 0., 4.83, 0.5);
static const NeutronAtom Mo97(42, 97, 7.24, 0., 6.59, 0.5, 7.1, 2.5);
static const NeutronAtom Mo98(42, 98, 6.58, 0., 5.44, 0., 5.44, 0.127);
static const NeutronAtom Mo100(42, 100, 6.73, 0., 5.69, 0., 5.69, 0.4);
static const NeutronAtom Tc(43, 6.8, 0., 5.8, 0.5, 6.3, 20.);
static const NeutronAtom Ru(44, 7.03, 0., 6.21, 0.4, 6.6, 2.56);
static const NeutronAtom Ru96(44, 96, 0., 0., 0., 0., 0., 0.28);
static const NeutronAtom Ru98(44, 98, 0., 0., 0., 0., 0., NAN); // TODO <8.
static const NeutronAtom Ru99(44, 99, 0., 0., 0., 0., 0., 6.9);
static const NeutronAtom Ru100(44, 100, 0., 0., 0., 0., 0., 4.8);
static const NeutronAtom Ru101(44, 101, 0., 0., 0., 0., 0., 3.3);
static const NeutronAtom Ru102(44, 102, 0., 0., 0., 0., 144.8, 1.17);
static const NeutronAtom Ru104(44, 104, 0., 0., 0., 0., 4.483, 0.31);
static const NeutronAtom Rh(45, 5.88, 0., 4.34, 0.3, 4.6, 144.8);
static const NeutronAtom Pd(46, 5.91, 0., 4.39, 0.093, 4.48, 6.9);
static const NeutronAtom Pd102(46, 102, 7.7, 0., 7.5, 0., 7.5, 3.4);
static const NeutronAtom Pd104(46, 104, 7.7, 0., 7.5, 0., 7.5, 0.6);
static const NeutronAtom Pd105(46, 105, 5.5, -2.6, 3.8, 0.8, 4.6, 20.);
static const NeutronAtom Pd106(46, 106, 6.4, 0., 5.1, 0., 5.1, 0.304);
static const NeutronAtom Pd108(46, 108, 4.1, 0., 2.1, 0., 2.1, 8.55);
static const NeutronAtom Pd110(46, 110, 7.7, 0., 7.5, 0., 7.5, 0.226);
static const NeutronAtom Ag(47, 5.922, 0., 4.407, 0.58, 4.99, 63.3);
static const NeutronAtom Ag107(47, 107, 7.555, 1.00, 7.17, 0.13, 7.3, 37.6);
static const NeutronAtom Ag109(47, 109, 4.165, -1.60, 2.18, 0.32, 2.5, 91.0);
static const NeutronAtom Cd(48, 0, 4.87, -0.70, 0., 0., 3.04, 3.46, 6.5, 2520.);
static const NeutronAtom Cd106(48, 106, 5., 0., 3.1, 0., 3.1, 1);
static const NeutronAtom Cd108(48, 108, 5.4, 0., 3.7, 0., 3.7, 1.1);
static const NeutronAtom Cd110(48, 110, 5.9, 0., 4.4, 0., 4.4, 11);
static const NeutronAtom Cd111(48, 111, 6.5, 0., 5.3, 0.3, 5.6, 24);
static const NeutronAtom Cd112(48, 112, 6.4, 0., 5.1, 0., 5.1, 2.2);
static const NeutronAtom Cd113(48, 113, -8.0, -5.73, 0., 0., 12.1, 0.3, 12.4,
20600.);
static const NeutronAtom Cd114(48, 114, 7.5, 0., 7.1, 0., 7.1, 0.34);
static const NeutronAtom Cd116(48, 116, 6.3, 0., 5, 0., 5, 0.075);
static const NeutronAtom In(49, 0, 4.065, -0.0539, 0., 0., 2.08, 0.54, 2.62,
193.8);
static const NeutronAtom In113(49, 113, 5.39, NAN, 3.65, 0.000037, 3.65,
12.0); // (+/-)0.017
static const NeutronAtom In115(49, 115, 4.01, -0.0562, -2.1, 0., 2.02, 0.55,
2.57, 202.);
static const NeutronAtom Sn(50, 6.225, 0., 4.871, 0.022, 4.892, 0.626);
static const NeutronAtom Sn112(50, 112, 6., 0., 4.5, 0., 4.5, 1);
static const NeutronAtom Sn114(50, 114, 6.2, 0., 4.8, 0., 4.8, 0.114);
static const NeutronAtom Sn115(50, 115, 6., 0., 4.5, 0.3, 4.8, 30.);
static const NeutronAtom Sn116(50, 116, 5.93, 0., 4.42, 0., 4.42, 0.14);
static const NeutronAtom Sn117(50, 117, 6.48, 0., 5.28, 0.3, 5.6, 2.3);
static const NeutronAtom Sn118(50, 118, 6.07, 0., 4.63, 0., 4.63, 0.22);
static const NeutronAtom Sn119(50, 119, 6.12, 0., 4.71, 0.3, 5, 2.2);
static const NeutronAtom Sn120(50, 120, 6.49, 0., 5.29, 0., 5.29, 0.14);static const NeutronAtom Sn122(50, 122, 5.74, 0., 4.14, 0., 4.14, 0.18);
static const NeutronAtom Sn124(50, 124, 5.97, 0., 4.48, 0., 4.48, 0.133);
static const NeutronAtom Sb(51, 5.57, 0., 3.9, 0.007, 3.9, 4.91);
static const NeutronAtom Sb121(51, 121, 5.71, -0.05, 4.1, 0.0003, 4.1, 5.75);
static const NeutronAtom Sb123(51, 123, 5.38, -0.10, 3.64, 0.001, 3.64, 3.8);
static const NeutronAtom Te(52, 5.80, 0., 4.23, 0.09, 4.32, 4.7);
static const NeutronAtom Te120(52, 120, 5.3, 0., 3.5, 0., 3.5, 2.3);
static const NeutronAtom Te122(52, 122, 3.8, 0., 1.8, 0., 1.8, 3.4);
static const NeutronAtom Te123(52, 123, -0.05, -0.116, -2.04, 0., 0.002, 0.52,
0.52, 418.);
static const NeutronAtom Te124(52, 124, 7.96, 0., 8, 0., 8, 6.8);
static const NeutronAtom Te125(52, 125, 5.02, -0.26, 3.17, 0.008, 3.18, 1.55);
static const NeutronAtom Te126(52, 126, 5.56, 0., 3.88, 0., 3.88, 1.04);
static const NeutronAtom Te128(52, 128, 5.89, 0., 4.36, 0., 4.36, 0.215);
static const NeutronAtom Te130(52, 130, 6.02, 0., 4.55, 0., 4.55, 0.29);
static const NeutronAtom I(53, 5.28, 1.58, 3.5, 0.31, 3.81, 6.15);
static const NeutronAtom Xe(54, 4.92, 3.04, 2.96, 0., 0., 23.9);
static const NeutronAtom Xe124(54, 124, 0., 0., 0., 0., 0., 165.);
static const NeutronAtom Xe126(54, 126, 0., 0., 0., 0., 0., 3.5);
static const NeutronAtom Xe128(54, 128, 0., 0., 0., 0., 0., NAN); // TODO <8
static const NeutronAtom Xe129(54, 129, 0., 0., 0., 0., 0., 21.);
static const NeutronAtom Xe130(54, 130, 0., 0., 0., 0., 0., NAN); // TODO <26.
static const NeutronAtom Xe131(54, 131, 0., 0., 0., 0., 0., 85.);
static const NeutronAtom Xe132(54, 132, 0., 0., 0., 0., 0., 0.45);
static const NeutronAtom Xe134(54, 134, 0., 0., 0., 0., 0., 0.265);
static const NeutronAtom Xe136(54, 136, 0., 0., 0., 0., 0., 0.26);
static const NeutronAtom Cs(55, 5.42, 1.29, 3.69, 0.21, 3.9, 29.0);
static const NeutronAtom Ba(56, 5.07, 0., 3.23, 0.15, 3.38, 1.1);
static const NeutronAtom Ba130(56, 130, -3.6, 0., 1.6, 0., 1.6, 30.);
static const NeutronAtom Ba132(56, 132, 7.8, 0., 7.6, 0., 7.6, 7);
static const NeutronAtom Ba134(56, 134, 5.7, 0., 4.08, 0., 4.08, 2.0);
static const NeutronAtom Ba135(56, 135, 4.67, 0., 2.74, 0.5, 3.2, 5.8);
static const NeutronAtom Ba136(56, 136, 4.91, 0., 3.03, 0., 3.03, 0.68);
static const NeutronAtom Ba137(56, 137, 6.83, 0., 5.86, 0.5, 6.4, 3.6);
static const NeutronAtom Ba138(56, 138, 4.84, 0., 2.94, 0., 2.94, 0.27);
static const NeutronAtom La(57, 8.24, 0., 8.53, 1.13, 9.66, 8.97);
static const NeutronAtom La138(57, 138, 8., 0., 8., 0.5, 8.5, 57.);
static const NeutronAtom La139(57, 139, 8.24, 3.0, 8.53, 1.13, 9.66, 8.93);
static const NeutronAtom Ce(58, 4.84, 0., 2.94, 0.001, 2.94, 0.63);
static const NeutronAtom Ce136(58, 136, 5.80, 0., 4.23, 0., 4.23, 7.3);
static const NeutronAtom Ce138(58, 138, 6.70, 0., 5.64, 0., 5.64, 1.1);
static const NeutronAtom Ce140(58, 140, 4.84, 0., 2.94, 0., 2.94, 0.57);
static const NeutronAtom Ce142(58, 142, 4.75, 0., 2.84, 0., 2.84, 0.95);
static const NeutronAtom Pr(59, 4.58, -0.35, 2.64, 0.015, 2.66, 11.5);
static const NeutronAtom Nd(60, 7.69, 0., 7.43, 9.2, 16.6, 50.5);
static const NeutronAtom Nd142(60, 142, 7.7, 0., 7.5, 0., 7.5, 18.7);
static const NeutronAtom Nd143(60, 143, 14., NAN, 25., 55., 80.,
337.); // (+/-)21.(1.)
static const NeutronAtom Nd144(60, 144, 2.8, 0., 1, 0., 1, 3.6);
static const NeutronAtom Nd145(60, 145, 14., 0., 25., 5., 30., 42.);
static const NeutronAtom Nd146(60, 146, 8.7, 0., 9.5, 0., 9.5, 1.4);
static const NeutronAtom Nd148(60, 148, 5.7, 0., 4.1, 0., 4.1, 2.5);
static const NeutronAtom Nd150(60, 150, 5.3, 0., 3.5, 0., 3.5, 1.2);
static const NeutronAtom Pm(61, 12.6, NAN, 20.0, 1.3, 21.3,
168.4); // (+/-)3.2(2.5)
static const NeutronAtom Sm(62, 0, 0.80, -1.65, 0., 0., 0.422, 39., 39., 5922.);
static const NeutronAtom Sm144(62, 144, -3., 0., 1., 0., 1., 0.7);
static const NeutronAtom Sm147(62, 147, 14., NAN, 25., 143, 39.,
57.); // (+/-)11.(7.)
static const NeutronAtom Sm148(62, 148, -3., 0., 1., 0., 1., 2.4);
static const NeutronAtom Sm149(62, 149, -19.2, -11.7, NAN, -10.3, 63.5, 137.,
200., 42080.); // (+/-)31.4
static const NeutronAtom Sm150(62, 150, 14., 0., 25., 0., 25., 104.);
static const NeutronAtom Sm152(62, 152, -5.0, 0., 3.1, 0., 3.1, 206.);
static const NeutronAtom Sm154(62, 154, 9.3, 0., 11., 0., 11., 8.4);
static const NeutronAtom Eu(63, 0, 7.22, -1.26, 0., 0., 6.57, 2.5, 9.2, 4530.);
static const NeutronAtom Eu151(63, 151, 6.13, -2.53, NAN, -2.14, 5.5, 3.1, 8.6,
9100.); // (+/-)4.5
static const NeutronAtom Eu153(63, 153, 8.22, NAN, 8.5, 1.3, 9.8,
312.); // (+/-)3.2static const NeutronAtom Gd(64, 0, 6.5, -13.82, 0., 0., 29.3, 151., 180.,
49700.);
static const NeutronAtom Gd152(64, 152, 10., 0., 13., 0., 13., 735.);
static const NeutronAtom Gd154(64, 154, 10., 0., 13., 0., 13., 85.);
static const NeutronAtom Gd155(64, 155, 6.0, -17.0, NAN, -13.16, 40.8, 25., 66.,
61100.); // (+/-)5.(5.)
static const NeutronAtom Gd156(64, 156, 6.3, 0., 5, 0., 5, 1.5);
static const NeutronAtom Gd157(64, 157, -1.14, -71.9, NAN, -55.8, 650., 394.,
1044., 259000.); // (+/-)5.(5.)
static const NeutronAtom Gd158(64, 158, 9., 0., 10., 0., 10., 2.2);
static const NeutronAtom Gd160(64, 160, 9.15, 0., 10.52, 0., 10.52, 0.77);
static const NeutronAtom Tb(65, 7.38, -0.17, 6.84, 0.004, 6.84, 23.4);
static const NeutronAtom Dy(66, 0, 16.9, -0.276, 0., 0., 35.9, 54.4, 90.3,
994.);
static const NeutronAtom Dy156(66, 156, 6.1, 0., 4.7, 0., 4.7, 33.);
static const NeutronAtom Dy158(66, 158, 6., 0., 5., 0., 5., 43.);
static const NeutronAtom Dy160(66, 160, 6.7, 0., 5.6, 0., 5.6, 56.);
static const NeutronAtom Dy161(66, 161, 10.3, NAN, 13.3, 3., 16.,
600.); // (+/-)4.9
static const NeutronAtom Dy162(66, 162, -1.4, 0., 0.25, 0., 0.25, 194.);
static const NeutronAtom Dy163(66, 163, 5.0, 1.3, 3.1, 0.21, 3.3, 124.);
static const NeutronAtom Dy164(66, 164, 49.4, -0.79, 0., 0., 307., 0., 307.,
2840.);
static const NeutronAtom Ho(67, 8.01, -1.70, 8.06, 0.36, 8.42, 64.7);
static const NeutronAtom Er(68, 7.79, 0., 7.63, 1.1, 8.7, 159.);
static const NeutronAtom Er162(68, 162, 8.8, 0., 9.7, 0., 9.7, 19.);
static const NeutronAtom Er164(68, 164, 8.2, 0., 8.4, 0., 8.4, 13.);
static const NeutronAtom Er166(68, 166, 10.6, 0., 14.1, 0., 14.1, 19.6);
static const NeutronAtom Er167(68, 167, 3.0, 1.0, 1.1, 0.13, 1.2, 659.);
static const NeutronAtom Er168(68, 168, 7.4, 0., 6.9, 0., 6.9, 2.74);
static const NeutronAtom Er170(68, 170, 9.6, 0., 11.6, 0., 11.6, 5.8);
static const NeutronAtom Tm(69, 7.07, 0.9, 6.28, 0.1, 6.38, 100.);
static const NeutronAtom Yb(70, 12.43, 0., 19.42, 4, 23.4, 34.8);
static const NeutronAtom Yb168(70, 168, -4.07, -0.62, 0., 0., 2.13, 0., 2.13,
2230.);
static const NeutronAtom Yb170(70, 170, 6.77, 0., 5.8, 0., 5.8, 11.4);
static const NeutronAtom Yb171(70, 171, 9.66, -5.59, 11.7, 3.9, 15.6, 48.6);
static const NeutronAtom Yb172(70, 172, 9.43, 0., 11.2, 0., 11.2, 0.8);
static const NeutronAtom Yb173(70, 173, 9.56, -5.3, 11.5, 3.5, 15, 17.1);
static const NeutronAtom Yb174(70, 174, 19.3, 0., 46.8, 0., 46.8, 69.4);
static const NeutronAtom Yb176(70, 176, 8.72, 0., 9.6, 0., 9.6, 2.85);
static const NeutronAtom Lu(71, 7.21, 0., 6.53, 0.7, 7.2, 74.);
static const NeutronAtom Lu175(71, 175, 7.24, NAN, 6.59, 0.6, 7.2,
21.); // (+/-)2.2
static const NeutronAtom Lu176(71, 175, 6.1, -0.57, NAN, 0.61, 4.7, 1.2, 5.9,
2065.); // (+/-)3.0
static const NeutronAtom Hf(72, 7.7, 0., 7.6, 2.6, 10.2, 104.1);
static const NeutronAtom Hf174(72, 174, 10.9, 0., 15., 0., 15., 561.);
static const NeutronAtom Hf176(72, 176, 6.61, 0., 5.5, 0., 5.5, 23.5);
static const NeutronAtom Hf177(72, 177, 0.8, NAN, 0.1, 0.1, 0.2,
373.); // (+/-)0.9(1.3)
static const NeutronAtom Hf178(72, 178, 5.9, 0., 4.4, 0., 4.4, 84.);
static const NeutronAtom Hf179(72, 179, 7.46, NAN, 7, 0.14, 7.1,
41.); // (+/-)1.06
static const NeutronAtom Hf180(72, 180, 13.2, 0., 21.9, 0., 21.9, 13.04);
static const NeutronAtom Ta(73, 6.91, 0., 6, 0.01, 6.01, 20.6);
static const NeutronAtom Ta180(73, 180, 7., 0., 6.2, 0.5, 7., 563.);
static const NeutronAtom Ta181(73, 181, 6.91, -0.29, 6, 0.011, 6.01, 20.5);
static const NeutronAtom W(74, 4.86, 0., 2.97, 1.63, 4.6, 18.3);
static const NeutronAtom W180(74, 180, 5., 0., 3., 0., 3., 30.);
static const NeutronAtom W182(74, 182, 6.97, 0., 6.1, 0., 6.1, 20.7);
static const NeutronAtom W183(74, 183, 6.53, 0., 5.36, 0.3, 5.7, 10.1);
static const NeutronAtom W184(74, 184, 7.48, 0., 7.03, 0., 7.03, 1.7);
static const NeutronAtom W186(74, 186, -0.72, 0., 0.065, 0., 0.065, 37.9);
static const NeutronAtom Re(75, 9.2, 0., 10.6, 0.9, 11.5, 89.7);
static const NeutronAtom Re185(75, 185, 9.0, NAN, 10.2, 0.5, 10.7,
112.); // (+/-)2.0
static const NeutronAtom Re187(75, 187, 9.3, NAN, 10.9, 1, 11.9,
76.4); // (+/-)2.8
static const NeutronAtom Os(76, 10.7, 0., 14.4, 0.3, 14.7, 16);static const NeutronAtom Os184(76, 184, 10., 0., 13., 0., 13., 3000.);
static const NeutronAtom Os186(76, 186, 11.6, 0., 17., 0., 17., 80.);
static const NeutronAtom Os187(76, 187, 10., 0., 13., 0.3, 13., 320.);
static const NeutronAtom Os188(76, 188, 7.6, 0., 7.3, 0., 7.3, 4.7);
static const NeutronAtom Os189(76, 189, 10.7, 0., 14.4, 0.5, 14.9, 25.);
static const NeutronAtom Os190(76, 190, 11.0, 0., 15.2, 0., 15.2, 13.1);
static const NeutronAtom Os192(76, 192, 11.5, 0., 16.6, 0., 16.6, 2);
static const NeutronAtom Ir(77, 10.6, 0., 14.1, 0., 14., 425.);
static const NeutronAtom Ir191(77, 191, 0., 0., 0., 0., 0., 954.);
static const NeutronAtom Ir193(77, 193, 0., 0., 0., 0., 0., 111.);
static const NeutronAtom Pt(78, 9.60, 0., 11.58, 0.13, 11.71, 10.3);
static const NeutronAtom Pt190(78, 190, 9.0, 0., 10., 0., 10., 152.);
static const NeutronAtom Pt192(78, 192, 9.9, 0., 12.3, 0., 12.3, 10.0);
static const NeutronAtom Pt194(78, 194, 10.55, 0., 14, 0., 14, 1.44);
static const NeutronAtom Pt195(78, 195, 8.83, -1.00, 9.8, 0.13, 9.9, 27.5);
static const NeutronAtom Pt196(78, 196, 9.89, 0., 12.3, 0., 12.3, 0.72);
static const NeutronAtom Pt198(78, 198, 7.8, 0., 7.6, 0., 7.6, 3.66);
static const NeutronAtom Au(79, 7.63, -1.84, 7.32, 0.43, 7.75, 98.65);
static const NeutronAtom Hg(80, 12.692, 0., 20.24, 6.6, 26.8, 372.3);
static const NeutronAtom Hg196(80, 196, 30.3, 0., 115., 0., 115., 3080.);
static const NeutronAtom Hg198(80, 198, 0., 0., 0., 0., 0., 2);
static const NeutronAtom Hg199(80, 199, 16.9, NAN, 36., 30., 66.,
2150.); // (+/-)15.5
static const NeutronAtom Hg200(80, 200, 0., 0., 0., 0., 0., NAN); // TODO <60.
static const NeutronAtom Hg201(80, 201, 0., 0., 0., 0., 0., 7.8);
static const NeutronAtom Hg202(80, 202, 0., 0., 0., 0., 9.828, 4.89);
static const NeutronAtom Hg204(80, 204, 0., 0., 0., 0., 0., 0.43);
static const NeutronAtom Tl(81, 8.776, 0., 9.678, 0.21, 9.89, 3.43);
static const NeutronAtom Tl203(81, 203, 6.99, 1.06, 6.14, 0.14, 6.28, 11.4);
static const NeutronAtom Tl205(81, 205, 9.52, -0.242, 11.39, 0.007, 11.4,
0.104);
static const NeutronAtom Pb(82, 9.405, 0., 11.115, 0.003, 11.118, 0.171);
static const NeutronAtom Pb204(82, 204, 9.90, 0., 12.3, 0., 12.3, 0.65);
static const NeutronAtom Pb206(82, 206, 9.22, 0., 10.68, 0., 10.68, 0.03);
static const NeutronAtom Pb207(82, 207, 9.28, 0.14, 10.82, 0.002, 10.82, 0.699);
static const NeutronAtom Pb208(82, 208, 9.50, 0., 11.34, 0., 11.34, 0.00048);
static const NeutronAtom Bi(83, 8.532, 0., 9.148, 0.0084, 9.156, 0.0338);
static const NeutronAtom Po(84, 0., 0.259, 0., 0., 0., 0.);
static const NeutronAtom At(85, 0., 0., 0., 0., 0., 0.);
static const NeutronAtom Rn(86, 0., 0., 0., 0., 12.6, 0.);
static const NeutronAtom Fr(87, 0., 0., 0., 0., 0., 0.);
static const NeutronAtom Ra(88, 10.0, 0., 13., 0., 13., 12.8);
static const NeutronAtom Ac(89, 0., 0., 0., 0., 0., 0.);
static const NeutronAtom Th(90, 10.31, 0., 13.36, 0., 13.36, 7.37);
static const NeutronAtom Pa(91, 9.1, 0., 10.4, 0.1, 10.5, 200.6);
static const NeutronAtom U(92, 8.417, 0., 8.903, 0.005, 8.908, 7.57);
static const NeutronAtom U233(92, 233, 10.1, NAN, 12.8, 0.1, 12.9,
574.7); // (+/-)1.(3.)
static const NeutronAtom U234(92, 234, 12.4, 0., 19.3, 0., 19.3, 100.1);
static const NeutronAtom U235(92, 235, 10.47, NAN, 13.78, 0.2, 14,
680.9); // (+/-)1.3
static const NeutronAtom U238(92, 238, 8.402, 0., 8.871, 0., 8.871, 2.68);
static const NeutronAtom Np(93, 10.55, 0., 14, 0.5, 14.5, 175.9);
static const NeutronAtom Pu(94, 0., 0., 0., 0., 0., 0.);
static const NeutronAtom Pu238(94, 238, 14.1, 0., 25.0, 0., 25.0, 558.);
static const NeutronAtom Pu239(94, 239, 7.7, NAN, 7.5, 0.2, 7.7,
1017.3); // (+/-)1.3(1.9)
static const NeutronAtom Pu240(94, 240, 3.5, 0., 1.54, 0., 1.54, 289.6);
static const NeutronAtom Pu242(94, 242, 8.1, 0., 8.2, 0., 8.2, 18.5);
static const NeutronAtom Am(95, 8.3, NAN, 8.7, 0.3, 9.0, 75.3); // (+/-)2.(7.)
static const NeutronAtom Cm(96, 0., 0., 0., 0., 0., 0.);
static const NeutronAtom Cm244(96, 244, 9.5, 0., 11.3, 0., 11.3, 16.2);
static const NeutronAtom Cm246(96, 246, 9.3, 0., 10.9, 0., 10.9, 1.36);
static const NeutronAtom Cm248(96, 248, 7.7, 0., 7.5, 0., 7.5, 3);
/// @endcond
/** All of the atoms in a single array so it can be searched. */
static NeutronAtom ATOMS[] = {
H, H1, H2, H3, He, He3, He4, Li, Li6, Li7, Be,
B, B10, B11, C, C12, C13, N, N14, N15, O, O16, O17, O18, F, Ne, Ne20, Ne21, Ne22, Na, Mg, Mg24, Mg25,
Mg26, Al, Si, Si28, Si29, Si30, P, S, S32, S33, S34,
S36, Cl, Cl35, Cl37, Ar, Ar36, Ar38, Ar40, K, K39, K40,
K41, Ca, Ca40, Ca42, Ca43, Ca44, Ca46, Ca48, Sc, Ti, Ti46,
Ti47, Ti48, Ti49, Ti50, V, V50, V51, Cr, Cr50, Cr52, Cr53,
Cr54, Mn, Fe, Fe54, Fe56, Fe57, Fe58, Co, Ni, Ni58, Ni60,
Ni61, Ni62, Ni64, Cu, Cu63, Cu65, Zn, Zn64, Zn66, Zn67, Zn68,
Zn70, Ga, Ga69, Ga71, Ge, Ge70, Ge72, Ge73, Ge74, Ge76, As,
Se, Se74, Se76, Se77, Se78, Se80, Se82, Br, Br79, Br81, Kr,
Kr78, Kr80, Kr82, Kr83, Kr84, Kr86, Rb, Rb85, Rb87, Sr, Sr84,
Sr86, Sr87, Sr88, Y, Zr, Zr90, Zr91, Zr92, Zr94, Zr96, Nb,
Mo, Mo92, Mo94, Mo95, Mo96, Mo97, Mo98, Mo100, Tc, Ru, Ru96,
Ru98, Ru99, Ru100, Ru101, Ru102, Ru104, Rh, Pd, Pd102, Pd104, Pd105,
Pd106, Pd108, Pd110, Ag, Ag107, Ag109, Cd, Cd106, Cd108, Cd110, Cd111,
Cd112, Cd113, Cd114, Cd116, In, In113, In115, Sn, Sn112, Sn114, Sn115,
Sn116, Sn117, Sn118, Sn119, Sn120, Sn122, Sn124, Sb, Sb121, Sb123, Te,
Te120, Te122, Te123, Te124, Te125, Te126, Te128, Te130, I, Xe, Xe124,
Xe126, Xe128, Xe129, Xe130, Xe131, Xe132, Xe134, Xe136, Cs, Ba, Ba130,
Ba132, Ba134, Ba135, Ba136, Ba137, Ba138, La, La138, La139, Ce, Ce136,
Ce138, Ce140, Ce142, Pr, Nd, Nd142, Nd143, Nd144, Nd145, Nd146, Nd148,
Nd150, Pm, Sm, Sm144, Sm147, Sm148, Sm149, Sm150, Sm152, Sm154, Eu,
Eu151, Eu153, Gd, Gd152, Gd154, Gd155, Gd156, Gd157, Gd158, Gd160, Tb,
Dy, Dy156, Dy158, Dy160, Dy161, Dy162, Dy163, Dy164, Ho, Er, Er162,
Er164, Er166, Er167, Er168, Er170, Tm, Yb, Yb168, Yb170, Yb171, Yb172,
Yb173, Yb174, Yb176, Lu, Lu175, Lu176, Hf, Hf174, Hf176, Hf177, Hf178,
Hf179, Hf180, Ta, Ta180, Ta181, W, W180, W182, W183, W184, W186,
Re, Re185, Re187, Os, Os184, Os186, Os187, Os188, Os189, Os190, Os192,
Ir, Ir191, Ir193, Pt, Pt190, Pt192, Pt194, Pt195, Pt196, Pt198, Au,
Hg, Hg196, Hg198, Hg199, Hg200, Hg201, Hg202, Hg204, Tl, Tl203, Tl205,
Pb, Pb204, Pb206, Pb207, Pb208, Bi, Po, At, Rn, Fr, Ra,
Ac, Th, Pa, U, U233, U234, U235, U238, Np, Pu, Pu238,
Pu239, Pu240, Pu242, Am, Cm, Cm244, Cm246, Cm248};
/** The total number of atoms in the array. */
static const size_t NUM_ATOMS = 371;
bool NeutronAtomEqualsWithNaN(const double left, const double right) {
if (left == right)
return true;
if ((std::isnan)(left) && (std::isnan)(right))
return true;
return false;
}
/** Equality between two neutron atoms
* @param left :: NeutronAtom to compare
* @param right :: NeutronAtom to compare
* @return boolean
*/
bool operator==(const NeutronAtom &left, const NeutronAtom &right) {
if (&left == &right)
return true;
if (left.z_number != right.z_number)
return false;
if (left.a_number != right.a_number)
return false;
if (!NeutronAtomEqualsWithNaN(left.coh_scatt_length_real,
right.coh_scatt_length_real))
return false;
if (!NeutronAtomEqualsWithNaN(left.coh_scatt_length_img,
right.coh_scatt_length_img))
return false;
if (!NeutronAtomEqualsWithNaN(left.inc_scatt_length_real,
right.inc_scatt_length_real))
return false;
if (!NeutronAtomEqualsWithNaN(left.inc_scatt_length_img,
right.inc_scatt_length_img))
return false;
if (!NeutronAtomEqualsWithNaN(left.coh_scatt_xs, right.coh_scatt_xs)) return false;
if (!NeutronAtomEqualsWithNaN(left.inc_scatt_xs, right.inc_scatt_xs))
return false;
if (!NeutronAtomEqualsWithNaN(left.tot_scatt_xs, right.tot_scatt_xs))
return false;
if (!NeutronAtomEqualsWithNaN(left.abs_scatt_xs, right.abs_scatt_xs))
return false;
// all of the tests pass
return true;
}
/** Inequality between two neutron atoms
* @param left :: NeutronAtom to compare
* @param right :: NeutronAtom to compare
* @return boolean
*/
bool operator!=(const NeutronAtom &left, const NeutronAtom &right) {
return !(left == right);
}
/** Output neutron atom to a stream
* @param out :: stream
* @param atom :: NeutronAtom
* @return stream
*/
std::ostream &operator<<(std::ostream &out, const NeutronAtom &atom) {
out << "coh_real " << atom.coh_scatt_length_real << " coh_img "
<< atom.coh_scatt_length_img << " inc_real " << atom.inc_scatt_length_real
<< " inc_img " << atom.inc_scatt_length_img << " coh_xs "
<< atom.coh_scatt_xs << " inc_xs " << atom.inc_scatt_xs << " tot_xs "
<< atom.tot_scatt_xs << " abs_xs " << atom.abs_scatt_xs;
return out;
}
/** Comparison between neutron atoms (for sorting)
* @param left :: NeutronAtom to compare
* @param right :: NeutronAtom to compare
* @return boolean
*/
bool compareAtoms(const NeutronAtom &left, const NeutronAtom &right) {
if (left.z_number == right.z_number) {
return (left.a_number < right.a_number);
} else {
return (left.z_number < right.z_number);
}
}
/**
* Adding two NeutronAtoms together sets a_number=z_number=0 and adds
* all of the scattering information.
*/
NeutronAtom operator+(const NeutronAtom &left, const NeutronAtom &right) {
// copy left
NeutronAtom result(left);
// reset the atom information since it is senseless
result.a_number = 0;
result.z_number = 0;
// do the math
result.coh_scatt_length_real =
left.coh_scatt_length_real + right.coh_scatt_length_real;
result.coh_scatt_length_img =
left.coh_scatt_length_img + right.coh_scatt_length_img;
result.inc_scatt_length_real =
left.inc_scatt_length_real + right.inc_scatt_length_real;
result.inc_scatt_length_img =
left.inc_scatt_length_img + right.inc_scatt_length_img;
result.coh_scatt_xs = left.coh_scatt_xs + right.coh_scatt_xs;
result.inc_scatt_xs = left.inc_scatt_xs + right.inc_scatt_xs; result.tot_scatt_xs = left.tot_scatt_xs + right.tot_scatt_xs;
result.abs_scatt_xs = left.abs_scatt_xs + right.abs_scatt_xs;
result.tot_scatt_length = left.tot_scatt_length + right.tot_scatt_length;
result.coh_scatt_length = left.coh_scatt_length + right.coh_scatt_length;
result.inc_scatt_length = left.inc_scatt_length + right.inc_scatt_length;
return result;
}
/**
* Multiplying a NeutronAtom by a number sets a_number=z_number=0
* and multiplies all of the scattering information.
*/
NeutronAtom operator*(const NeutronAtom &left, const double right) {
// copy left
NeutronAtom result(left);
// reset the atom information since it is senseless
result.a_number = 0;
result.z_number = 0;
// do the math
result.coh_scatt_length_real = left.coh_scatt_length_real * right;
result.coh_scatt_length_img = left.coh_scatt_length_img * right;
result.inc_scatt_length_real = left.inc_scatt_length_real * right;
result.inc_scatt_length_img = left.inc_scatt_length_img * right;
result.coh_scatt_xs = left.coh_scatt_xs * right;
result.inc_scatt_xs = left.inc_scatt_xs * right;
result.tot_scatt_xs = left.tot_scatt_xs * right;
result.abs_scatt_xs = left.abs_scatt_xs * right;
result.tot_scatt_length = left.tot_scatt_length * right;
result.coh_scatt_length = left.coh_scatt_length * right;
result.inc_scatt_length = left.inc_scatt_length * right;
return result;
}
/**
* This calls @link operator*(const NeutronAtom&, const double) @endlink
* with the parameters reversed.
*/
NeutronAtom operator*(const double left, const NeutronAtom &right) {
// the operation is just abelian
return right * left;
}
/** Retrieve a copy of NeutronAtom
* @param z_number :: Atomic number of the atom to get
* @param a_number :: Mass number of the atom to get
* @return The atom corresponding to the given Z and A
*/
NeutronAtom getNeutronAtom(const uint16_t z_number, const uint16_t a_number) {
NeutronAtom temp(z_number, a_number, NAN, NAN, NAN, NAN, NAN, NAN);
NeutronAtom *result =
std::lower_bound(&(ATOMS[0]), &(ATOMS[NUM_ATOMS]), temp, compareAtoms);
if (result == &(ATOMS[NUM_ATOMS]) || result->z_number != z_number ||
result->a_number != a_number) {
std::stringstream msg;
msg << "Failed to find a NeutronAtom with z=" << z_number
<< " and a=" << a_number;
throw std::runtime_error(msg.str());
}
return *result;
}
NeutronAtom getNeutronNoExceptions(const uint16_t z_number,
const uint16_t a_number) {
NeutronAtom temp(z_number, a_number, NAN, NAN, NAN, NAN, NAN, NAN); // set to junk value
NeutronAtom *result =
std::lower_bound(&(ATOMS[0]), &(ATOMS[NUM_ATOMS]), temp, compareAtoms);
if (result == &(ATOMS[NUM_ATOMS]) || result->z_number != z_number ||
result->a_number != a_number) {
return temp;
} else
return *result;
}
NeutronAtom getNeutronNoExceptions(const NeutronAtom &other) {
if (other.z_number == 0) {
return NeutronAtom(other);
} else {
return getNeutronNoExceptions(other.z_number, other.a_number);
}
}
} // namespace PhysicalConstants
} // namespace Mantid