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using System;
using System.Diagnostics;
using System.Numerics;
using Science;
using System.Collections.Generic;
namespace Test
{
class Program
{
static void Main(string[] args)
{
Stopwatch sw = new Stopwatch();
sw.Start();
XrayLib xl = XrayLib.Instance;
Console.Title = String.Format("XrayLib.NET v{0}.{1}",
XrayLib.VERSION_MAJOR, XrayLib.VERSION_MINOR);
Console.WriteLine("Example C# program using XrayLib.NET\n");
Console.WriteLine("Density of pure Al: {0} g/cm3",
xl.ElementDensity(13));
Console.WriteLine("Ca K-alpha Fluorescence Line Energy: {0}",
xl.LineEnergy(20, XrayLib.KA_LINE));
Console.WriteLine("Fe partial photoionization cs of L3 at 6.0 keV: {0}",
xl.CS_Photo_Partial(26, XrayLib.L3_SHELL, 6.0));
Console.WriteLine("Zr L1 edge energy: {0}",
xl.EdgeEnergy(40, XrayLib.L1_SHELL));
Console.WriteLine("Pb Lalpha XRF production cs at 20.0 keV (jump approx): {0}",
xl.CS_FluorLine(82, XrayLib.LA_LINE, 20.0));
Console.WriteLine("Pb Lalpha XRF production cs at 20.0 keV (Kissel): {0}",
xl.CS_FluorLine_Kissel(82, XrayLib.LA_LINE, 20.0));
Console.WriteLine("Bi M1N2 radiative rate: {0}",
xl.RadRate(83, XrayLib.M1N2_LINE));
Console.WriteLine("U M3O3 Fluorescence Line Energy: {0}",
xl.LineEnergy(92, XrayLib.M3O3_LINE));
Console.WriteLine("Pb information: {0}",
xl.GetElementData(82).ToString());
// Parser test for Ca(HCO3)2 (calcium bicarbonate)
CompoundData cd = new CompoundData("Ca(HCO3)2");
Console.WriteLine("Ca(HCO3)2 contains:");
Console.Write(cd.ToString());
// Parser test for SiO2 (quartz)
cd.Parse("SiO2");
Console.WriteLine("SiO2 contains:");
Console.Write(cd.ToString());
Console.WriteLine("Ca(HCO3)2 Rayleigh cs at 10.0 keV: {0}",
xl.CS_Rayl_CP("Ca(HCO3)2", 10.0));
Console.WriteLine("CS2 Refractive Index at 10.0 keV : {0} - {1} i",
xl.Refractive_Index_Re("CS2", 10.0, 1.261), xl.Refractive_Index_Im("CS2", 10.0, 1.261));
Console.WriteLine("C16H14O3 Refractive Index at 1 keV : {0} - {1} i",
xl.Refractive_Index_Re("C16H14O3", 1.0, 1.2), xl.Refractive_Index_Im("C16H14O3", 1.0, 1.2));
Console.WriteLine("SiO2 Refractive Index at 5 keV : {0} - {1} i",
xl.Refractive_Index_Re("SiO2", 5.0, 2.65), xl.Refractive_Index_Im("SiO2", 5.0, 2.65));
Complex n = xl.Refractive_Index("SiO2", 5.0, 2.65);
Console.WriteLine("SiO2 Refractive Index at 5 keV : {0} - {1} i", n.Real, n.Imaginary);
Console.WriteLine("Compton profile for Fe at pz = 1.1 : {0}",
xl.ComptonProfile(26, 1.1f));
Console.WriteLine("M5 Compton profile for Fe at pz = 1.1 : {0}",
xl.ComptonProfile_Partial(26, XrayLib.M5_SHELL, 1.1));
Console.WriteLine("M1->M5 Coster-Kronig transition probability for Au : {0}",
xl.CosKronTransProb(79, XrayLib.FM15_TRANS));
Console.WriteLine("L1->L3 Coster-Kronig transition probability for Fe : {0}",
xl.CosKronTransProb(26, XrayLib.FL13_TRANS));
Console.WriteLine("Au Ma1 XRF production cs at 10.0 keV (Kissel): {0}",
xl.CS_FluorLine_Kissel(79, XrayLib.MA1_LINE, 10.0));
Console.WriteLine("Au Mb XRF production cs at 10.0 keV (Kissel): {0}",
xl.CS_FluorLine_Kissel(79, XrayLib.MB_LINE, 10.0));
Console.WriteLine("Au Mg XRF production cs at 10.0 keV (Kissel): {0}",
xl.CS_FluorLine_Kissel(79, XrayLib.MG_LINE, 10.0));
Console.WriteLine("K atomic level width for Fe: {0}",
xl.AtomicLevelWidth(26, XrayLib.K_SHELL));
Console.WriteLine("Bi L2-M5M5 Auger non-radiative rate: {0}",
xl.AugerRate(86, XrayLib.L2_M5M5_AUGER));
Console.WriteLine("Sr anomalous scattering factor Fi at 10.0 keV: {0}", xl.Fi(38, 10.0));
Console.WriteLine("Sr anomalous scattering factor Fii at 10.0 keV: {0}", xl.Fii(38, 10.0));
cd = new CompoundData("SiO2", 0.4, "Ca(HCO3)2", 0.6);
Console.WriteLine("Compound contains:");
Console.Write(cd.ToString());
String symbol = CompoundData.AtomicNumberToSymbol(26);
Console.WriteLine("Symbol of element 26 is: {0}", symbol);
Console.WriteLine("Number of element Fe is: {0}", CompoundData.SymbolToAtomicNumber("Fe"));
Console.WriteLine("Pb Malpha XRF production cs at 20.0 keV with cascade effect: {0}",
xl.CS_FluorLine_Kissel(82, XrayLib.MA1_LINE, 20.0));
Console.WriteLine("Pb Malpha XRF production cs at 20.0 keV with radiative cascade effect: {0}",
xl.CS_FluorLine_Kissel_Radiative_Cascade(82, XrayLib.MA1_LINE, 20.0));
Console.WriteLine("Pb Malpha XRF production cs at 20.0 keV with non-radiative cascade effect: {0}",
xl.CS_FluorLine_Kissel_Nonradiative_Cascade(82, XrayLib.MA1_LINE, 20.0));
Console.WriteLine("Pb Malpha XRF production cs at 20.0 keV without cascade effect: {0}",
xl.CS_FluorLine_Kissel_No_Cascade(82, XrayLib.MA1_LINE, 20.0));
Console.WriteLine("Al mass energy-absorption cs at 20.0 keV: {0}",
xl.CS_Energy(13, 20.0));
Console.WriteLine("Pb mass energy-absorption cs at 40.0 keV: {0}",
xl.CS_Energy(82, 40.0));
Console.WriteLine("CdTe mass energy-absorption cs at 40.0 keV: {0}",
xl.CS_Energy_CP("CdTe", 40.0));
double energy = 8.0;
double debyeFactor = 1.0;
double relativeAngle = 1.0;
// Si crystal structure
CrystalArray ca = new CrystalArray();
Crystal cryst = ca.GetCrystal("Si");
if (cryst != null)
{
Console.WriteLine(cryst.ToString());
// Si diffraction parameters
Console.WriteLine("Si 111 at 8 KeV. Incidence at the Bragg angle:");
double bragg = cryst.BraggAngle(energy, 1, 1, 1);
Console.WriteLine(" Bragg angle: {0} rad, {1} deg", bragg, bragg*180.0/Math.PI);
double q = cryst.ScatteringVectorMagnitide(energy, 1, 1, 1, relativeAngle);
Console.WriteLine(" Magnitude of scattering vector, Q: {0}", q);
double f0 = 0.0, fp = 0.0, fpp = 0.0;
cryst.AtomicScatteringFactors(14, energy, q, debyeFactor, ref f0, ref fp, ref fpp);
Console.WriteLine(" Atomic scattering factors (Z = 14) f0, fp, fpp: {0}, {1}, i{2}", f0, fp, fpp);
Complex FH, F0;
FH = cryst.StructureFactor(energy, 1, 1, 1, debyeFactor, relativeAngle);
Console.WriteLine(" FH(1,1,1) structure factor: ({0}, {1})", FH.Real, FH.Imaginary);
F0 = cryst.StructureFactor(energy, 0, 0, 0, debyeFactor, relativeAngle);
Console.WriteLine(" F0=FH(0,0,0) structure factor: ({0}, {1})", F0.Real, F0.Imaginary);
Console.WriteLine();
}
// Diamond diffraction parameters
cryst = ca.GetCrystal("Diamond");
if (cryst != null)
{
Console.WriteLine("Diamond 111 at 8 KeV. Incidence at the Bragg angle:");
double bragg = cryst.BraggAngle(energy, 1, 1, 1);
Console.WriteLine(" Bragg angle: {0} rad, {1} deg", bragg, bragg * 180.0 / Math.PI);
double q = cryst.ScatteringVectorMagnitide(energy, 1, 1, 1, relativeAngle);
Console.WriteLine(" Magnitude of scattering vector, Q: {0}", q);
double f0 = 0.0, fp = 0.0, fpp = 0.0;
cryst.AtomicScatteringFactors(6, energy, q, debyeFactor, ref f0, ref fp, ref fpp);
Console.WriteLine(" Atomic scattering factors (Z = 6) f0, fp, fpp: {0}, {1}, i{2}", f0, fp, fpp);
Complex FH, F0;
FH = cryst.StructureFactor(energy, 1, 1, 1, debyeFactor, relativeAngle);
Console.WriteLine(" FH(1,1,1) structure factor: ({0}, {1})", FH.Real, FH.Imaginary);
F0 = cryst.StructureFactor(energy, 0, 0, 0, debyeFactor, relativeAngle);
Console.WriteLine(" F0=FH(0,0,0) structure factor: ({0}, {1})", F0.Real, F0.Imaginary);
Complex FHbar = cryst.StructureFactor(energy, -1, -1, -1, debyeFactor, relativeAngle);
double dw = 1e10 * 2 * (XrayLib.R_E / cryst.Volume) * (XrayLib.KEV2ANGST * XrayLib.KEV2ANGST / (energy * energy)) *
Math.Sqrt(Complex.Abs(FH * FHbar)) / Math.PI / Math.Sin(2 * bragg);
Console.WriteLine(" Darwin width: {0} uRad", 1e6 * dw);
Console.WriteLine();
}
// Alpha Quartz diffraction parameters
cryst = ca.GetCrystal("AlphaQuartz");
if (cryst != null)
{
Console.WriteLine("AlphaQuartz 020 at 8 KeV. Incidence at the Bragg angle:");
double bragg = cryst.BraggAngle(energy, 0, 2, 0);
Console.WriteLine(" Bragg angle: {0} rad, {1} deg", bragg, bragg * 180.0 / Math.PI);
double q = cryst.ScatteringVectorMagnitide(energy, 0, 2, 0, relativeAngle);
Console.WriteLine(" Magnitude of scattering vector, Q: {0}", q);
double f0 = 0.0, fp = 0.0, fpp = 0.0;
cryst.AtomicScatteringFactors(8, energy, q, debyeFactor, ref f0, ref fp, ref fpp);
Console.WriteLine(" Atomic scattering factors (Z = 8) f0, fp, fpp: {0}, {1}, i{2}", f0, fp, fpp);
Complex FH, F0;
FH = cryst.StructureFactor(energy, 0, 2, 0, debyeFactor, relativeAngle);
Console.WriteLine(" FH(0,2,0) structure factor: ({0}, {1})", FH.Real, FH.Imaginary);
F0 = cryst.StructureFactor(energy, 0, 0, 0, debyeFactor, relativeAngle);
Console.WriteLine(" F0=FH(0,0,0) structure factor: ({0}, {1})", F0.Real, F0.Imaginary);
Console.WriteLine();
}
// Muscovite diffraction parameters
cryst = ca.GetCrystal("Muscovite");
if (cryst != null)
{
Console.WriteLine("Muskovite 331 at 8 KeV. Incidence at the Bragg angle:");
double bragg = cryst.BraggAngle(energy, 3, 3, 1);
Console.WriteLine(" Bragg angle: {0} rad, {1} deg", bragg, bragg * 180.0 / Math.PI);
double q = cryst.ScatteringVectorMagnitide(energy, 3, 3, 1, relativeAngle);
Console.WriteLine(" Magnitude of scattering vector, Q: {0}", q);
double f0 = 0.0, fp = 0.0, fpp = 0.0;
cryst.AtomicScatteringFactors(19, energy, q, debyeFactor, ref f0, ref fp, ref fpp);
Console.WriteLine(" Atomic scattering factors (Z = 19) f0, fp, fpp: {0}, {1}, i{2}", f0, fp, fpp);
Complex FH, F0;
FH = cryst.StructureFactor(energy, 3, 3, 1, debyeFactor, relativeAngle);
Console.WriteLine(" FH(3,3,1) structure factor: ({0}, {1})", FH.Real, FH.Imaginary);
F0 = cryst.StructureFactor(energy, 0, 0, 0, debyeFactor, relativeAngle);
Console.WriteLine(" F0=FH(0,0,0) structure factor: ({0}, {1})", F0.Real, F0.Imaginary);
Console.WriteLine();
}
List<string> crystalNames;
crystalNames = CrystalArray.GetDefaultNames();
foreach (string name in crystalNames)
Console.WriteLine(name);
Console.WriteLine();
// RadionuclideData tests
RadionuclideData rd = new RadionuclideData("109Cd");
Console.WriteLine(rd.ToString());
Console.WriteLine();
rd = new RadionuclideData(XrayLib.RADIONUCLIDE_125I);
Console.WriteLine(rd.ToString());
Console.WriteLine();
rd = new RadionuclideData();
string namesCsv = string.Join(", ", rd.Names.ToArray());
Console.WriteLine(namesCsv);
Console.WriteLine();
sw.Stop();
Console.WriteLine("Time: {0} ms", sw.ElapsedMilliseconds);
Console.ReadLine();
}
}
}
|
