dotNet bindings updated

plus a bugfix in the perl bindings
tschoonj · Sep 17, 2012 · 218c8e8 · 218c8e8
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diff --git a/example/xrlexample8.cs b/example/xrlexample8.cs
@@ -1,5 +1,19 @@
-using System;
+/*
+Copyright (c) 2010, Matthew Wormington
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+    * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
+    * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
+    * The names of the contributors may not be used to endorse or promote products derived from this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY Matthew Wormington ''AS IS'' AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL Tom Schoonjans BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+*/
+
+using System;
 using System.Diagnostics;
+using System.Numerics;
 using Science;
 
 namespace Test
@@ -13,8 +27,9 @@ static void Main(string[] args)
 
             XrayLib xl = XrayLib.Instance;
             // If something goes wrong, the test will end with EXIT_FAILURE
-//            xl.SetHardExit(1);
-
+            // xl.SetHardExit(1);
+            xl.SetErrorMessages(0);
+
             Console.Title = String.Format("XrayLib.NET v{0}.{1}", 
                 XrayLib.VERSION_MAJOR, XrayLib.VERSION_MINOR);
             Console.WriteLine("Example C# program using XrayLib.NET\n");
@@ -58,7 +73,150 @@ static void Main(string[] args)
             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, 1.1f));
+                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));
+
+            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));
+
+            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();
+            }
 
             sw.Stop();
             Console.WriteLine("Time: {0} ms", sw.ElapsedMilliseconds);
@@ -68,24 +226,5 @@ static void Main(string[] args)
     }
 }
 
-/*
-  
-  
-
-  //parser test for SiO2 (quartz)
-  if (CompoundParser("SiO2",&cdtest) == 0)
-	return 1;
 
-  std::printf("SiO2 contains %i atoms and %i elements\n",cdtest.nAtomsAll,cdtest.nElements);
-  for (i = 0 ; i < cdtest.nElements ; i++)
-    std::printf("Element %i: %lf %%\n",cdtest.Elements[i],cdtest.massFractions[i]*100.0);
-
-  FREE_COMPOUND_DATA(cdtest)
-
-  std::printf("Ca(HCO3)2 Rayleigh cs at 10.0 keV: %f\n",CS_Rayl_CP("Ca(HCO3)2",10.0f) );
-
-  std::printf("CS2 Refractive Index at 10.0 keV : %f - %f i\n",Refractive_Index_Re("CS2",10.0f,1.261f),Refractive_Index_Im("CS2",10.0f,1.261f));
-  std::printf("C16H14O3 Refractive Index at 1 keV : %f - %f i\n",Refractive_Index_Re("C16H14O3",1.0f,1.2f),Refractive_Index_Im("C16H14O3",1.0f,1.2f));
-  std::printf("SiO2 Refractive Index at 5 keV : %f - %f i\n",Refractive_Index_Re("SiO2",5.0f,2.65f),Refractive_Index_Im("SiO2",5.0f,2.65f));
-*/
 
diff --git a/nsis/dotNet/AssemblyInfo.cpp b/nsis/dotNet/AssemblyInfo.cpp
@@ -16,7 +16,7 @@ using namespace System::Security::Permissions;
 [assembly:AssemblyConfigurationAttribute("")];
 [assembly:AssemblyCompanyAttribute("")];
 [assembly:AssemblyProductAttribute("XrayLibNET")];
-[assembly:AssemblyCopyrightAttribute("Copyright (c) 2010-2011 Matthew Wormington")];
+[assembly:AssemblyCopyrightAttribute("Copyright (c) 2010-2012 Matthew Wormington")];
 [assembly:AssemblyTrademarkAttribute("")];
 [assembly:AssemblyCultureAttribute("")];
 
@@ -31,7 +31,7 @@ using namespace System::Security::Permissions;
 // You can specify all the value or you can default the Revision and Build Numbers
 // by using the '*' as shown below:
 
-[assembly:AssemblyVersionAttribute("2.15.0.0")];
+[assembly:AssemblyVersionAttribute("2.16.0.0")];
 
 [assembly:ComVisible(false)];
 

diff --git a/nsis/dotNet/Compound.h b/nsis/dotNet/Compound.h
@@ -53,7 +53,7 @@
 	OF SUCH DAMAGE.
 */
 
-#include "..\XrayLib\xraylib-parser.h"
+#include "xraylib.h"
 
 using namespace System;
 using namespace System::Collections::Generic;
@@ -64,7 +64,7 @@ using namespace System::Text;
 /// A namespace that contains scientific classes.
 /// </summary>
 namespace Science {
-
+	
 	/// <summary>
 	/// A simple class that gives information on the composition of a compound. 
 	/// </summary>
@@ -306,4 +306,4 @@ namespace Science {
 }
 
 
-// Update help
+