Merge pull request #2556 from mccode-dev/McXtrace-work-2514-GPU

McXtrace: Work toward fixing #2514 (GPU)

Author: willend

mcxtrace-comps/contrib/Mirror_toroid_pothole.comp

@@ -62,7 +62,7 @@ DECLARE
 
 INITIALIZE
 %{
-  if (coating && strlen (coating)) {
+  if (coating && strlen (coating) && strcmp (coating, "NULL")) {
     char** header_parsed;
     t_Table* tp = &reflec_table;
     /* read 1st block data from file into tp */

mcxtrace-comps/examples/MAXIV/MAXIV_FemtoMAX/MAXIV_FemtoMAX.instr

@@ -133,7 +133,7 @@ COMPONENT slit1 = Slit(
 AT(0,0,0.9355) RELATIVE a1
 
 COMPONENT popin_yag1 = PSD_monitor(
-    xwidth=1e-3, yheight=1e-3,filename="popin_yag1")
+    xwidth=1e-3, yheight=1e-3)
 AT(0,0, 0.3355) RELATIVE slit1
 
 
@@ -165,7 +165,7 @@ COMPONENT slit2 = Slit(
 	xwidth=dxs2, yheight=dys2)
 AT(0,0,1.2) RELATIVE focus_mirror_exit1
 
-COMPONENT popin_yag2 = COPY(popin_yag1)(yheight=1e-2,filename="popin_yag2")
+COMPONENT popin_yag2 = COPY(popin_yag1)(yheight=1e-2)
 AT(0,0,0.4) RELATIVE slit2
 
 COMPONENT mono = Bragg_crystal(

mcxtrace-comps/examples/Tests_optics/Test_Mirrors/Test_Mirrors.instr

@@ -55,7 +55,7 @@
 *******************************************************************************/
 
 /* Change name of instrument and input parameters with default values */
-DEFINE INSTRUMENT Test_Mirrors(gamma=5, int index=1, L=2, radius=1000, E0=12.5, string coating="None")
+DEFINE INSTRUMENT Test_Mirrors(gamma=5, int index=1, L=2, radius=1000, E0=12.5, string coating="NULL")
 
 INITIALIZE %{
   switch (index) {
@@ -64,12 +64,10 @@ INITIALIZE %{
     case 2: printf("Using Mirror_parabolic\n"); break; // OK when rotated 180 deg around z
     case 3: printf("Using Mirror_curved\n"); break; // OK
     case 4: printf("Using Mirror_toroid\n"); break;         // OK
-    case 5: printf("Using Mirror_toroid_pothole\n"); break; // OK
-    case 6: printf("Using Multilayer_elliptic\n"); break; // not OK
+    case 5: printf("Using Multilayer_elliptic\n"); break; // not OK
+    case 6: printf("Using Mirror_toroid_pothole\n"); break; // OK
     default: exit(fprintf(stderr, "Unknown Mirror index\n"));
   }
-  /* If "None" is given it in fact means "" */
-  if (!strcmp(coating,"None")) sprintf(coating,"");
 %}
 
 TRACE
@@ -124,17 +122,17 @@ WHEN (index==4)
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 180) RELATIVE mirror_stage
 
-COMPONENT mt6_multilayer = Multilayer_elliptic( // default in XZ
+COMPONENT mt5_multilayer = Multilayer_elliptic( // default in XZ
     coating=coating, theta = gamma,
     s1 = L, s2 = L, length = 0.2, width = 0.05, R0 = 1,
     Emin=E0-1, Emax=E0+1, Estep=0.05)
-WHEN (index==6) 
+WHEN (index==5)
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 0) RELATIVE mirror_stage
 
-COMPONENT mt5_toroid_pot = Mirror_toroid_pothole( // default in XZ
+COMPONENT mt6_toroid_pot = Mirror_toroid_pothole( // default in XZ
     radius=0.1, radius_o=radius, xwidth=5e-2, zdepth=2e-1,R0=1, coating="") /* Does not support standard coatings it seems */
-WHEN (index==5) 
+WHEN (index==6)
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 180) RELATIVE mirror_stage
 

mcxtrace-comps/optics/Grating_reflect.comp

@@ -56,7 +56,7 @@ SETTING PARAMETERS (d_phi=1, R0=1, rho_l=800,
 
 SHARE
 %{  
-  #include <complex.h>
+  %include "mccode-complex-lib"
   %include "read_table-lib"
 %}
 

mcxtrace-comps/optics/Mirror_curved.comp

@@ -56,7 +56,7 @@ INITIALIZE
 %{
   int status;
 
-  if (coating && strlen (coating)) {
+  if (coating && strlen (coating) && strcmp (coating, "NULL")) {
     status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL);
   } else {
     /*assume a constant reflectivity*/

mcxtrace-comps/optics/Mirror_elliptic.comp

@@ -54,7 +54,7 @@ DEPENDENCY "-std=c99"
 SHARE
 %{
   %include "perfect_crystals-lib"
-  #include <complex.h>
+  %include "mccode-complex-lib"
   %include "read_table-lib"
   %include "reflectivity-lib"
 %}
@@ -74,7 +74,7 @@ INITIALIZE
   if (radius)
     x_a = y_b = z_c = radius;
 
-  if (coating && strlen (coating)) {
+  if (coating && strlen (coating) && strcmp (coating, "NULL")) {
     status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL);
   } else {
     /*assume a constant reflectivity*/

mcxtrace-comps/optics/Multilayer_elliptic.comp

@@ -67,7 +67,7 @@ SETTING PARAMETERS (string coating="Ref_W_B4C.txt",
 
 SHARE 
 %{
-  #include <complex.h>
+  %include "mccode-complex-lib"
   %include "read_table-lib"
   %include "reflectivity-lib"
   /*something that would be relevant for ALL elliptical mirrors*/
@@ -108,7 +108,6 @@ INITIALIZE
   /* calculation of the elliptical parameters according to the input mirror parameters:
   ellipse major axis a/2, minor axis b/2, M-magnification factor, Z0&Y0 - position of the mirror centre in the elliptical coordinate system.*/
   double Theta = DEG2RAD * theta;
-
   if (xwidth)
     width = xwidth;
   if (zdepth)
@@ -132,7 +131,7 @@ INITIALIZE
       status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL);
     } else {
       /*assume a constant reflectivity*/
-      status = reflec_Init_const (&re, R0);
+      status = reflec_Init (&re, CONSTANT, NULL, &(R0));
     }
   } else {
     kinematical = 1;
@@ -144,7 +143,7 @@ INITIALIZE
 
 TRACE
 %{
-  double K, vink;
+  double k, s;
   double x_el, y_el, z_el;    // beginning coordinates transformed into the ellipse system
   double kx_el, ky_el, kz_el; // kvector transformed into the ellipse system, hence
 
@@ -154,7 +153,7 @@ TRACE
   double kxn, kyn, kzn; // reflected ray's kvector
 
   /* get the photon's coordinates and kvector in the ellipse frame */
-  K = sqrt (kx * kx + ky * ky + kz * kz);
+  k = sqrt (scalar_prod (kx, ky, kz, kx, ky, kz));
 
   CoordTransME (&x_el, &y_el, &z_el, x, y, z, Z0, Y0, xi);
   CoordTransME (&kx_el, &ky_el, &kz_el, kx, ky, kz, 0, 0, xi);
@@ -193,39 +192,31 @@ TRACE
           nz = 1.0;
         }
         NORM (nx, ny, nz);
-        vink = scalar_prod (nx, ny, nz, kx_el, ky_el, kz_el);
-        kxn = kx_el - 2.0 * vink * nx;
-        kyn = ky_el - 2.0 * vink * ny;
-        kzn = kz_el - 2.0 * vink * nz;
+        s = scalar_prod (nx, ny, nz, kx_el, ky_el, kz_el);
+        kxn = kx_el - 2.0 * s * nx;
+        kyn = ky_el - 2.0 * s * ny;
+        kzn = kz_el - 2.0 * s * nz;
         NORM (kxn, kyn, kzn);
 
         double kxo, kyo, kzo;
         kxo = kx;
         kyo = ky, kzo = kz;
         CoordTransEM (&kx, &ky, &kz, kxn, kyn, kzn, 0, 0, xi);
 
-        kx = K * kx;
-        ky = K * ky;
-        kz = K * kz;
+        NORM (kx, ky, kz);
 
-        double QQ, EE, Ref;
-        QQ = sqrt ((kx - kxo) * (kx - kxo) + (ky - kyo) * (ky - kyo) + (kz - kzo) * (kz - kzo));
-        EE = K * K2E;
+        kx = k * kx;
+        ky = k * ky;
+        kz = k * kz;
 
-        if (kinematical) {
-          /*
-           * \Lambda: thickness of bilayer - following notation in Als-Nielsen/McMorrow
-           * \Gamma:  \Gamma*\Lambda thickness of high electron density material.
-           * r1(zeta) = 2 i r_0 \rho_{AB} \left(\frac{\Lambda^2 \Gamma}{\zeta}\right) \frac{\sin\left(\pi\Gamma\zeta\right)}{\pi\Gamma\zeta);
-           */
-          Ref = reflecq (re, QQ, 0, 0, 0);
-          if (Ref > 1) {
-            /*Reflectivity can't be >1*/
-            Ref = 1.0;
-          }
-        } else {
-          /*interpolate in table*/
-          Ref = reflecq (re, QQ, 0, 0, 0);
+        double QQ;
+        double Ref = R0;
+        QQ = sqrt ((kx - kxo) * (kx - kxo) + (ky - kyo) * (ky - kyo) + (kz - kzo) * (kz - kzo));
+        /* Evaluate reflectivity curve */
+        Ref = reflecq (re, QQ, 0, k, fabs (90 - acos (s / k) * RAD2DEG));
+        /*Reflectivity can't be >1*/
+        if (Ref > 1) {
+          Ref = 1.0;
         }
 
         /* apply reflectivity */