McXtrace Enable all tests in Test_Mirrors

mcxtrace-comps/contrib/Mirror_toroid_pothole.comp

@@ -117,7 +117,7 @@ TRACE
       break;
     do {
       /*this to do a test propagation*/
-      double op[12];
+      double op[13];
       op[0] = x;
       op[1] = y;
       op[2] = z;

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

@@ -20,10 +20,28 @@
 *    index=2: Mirror_parabolic
 *    index=3: Mirror_curved
 *    index=4: Mirror_toroid
-*    index=5: Mirror_toroid_pothole
-*    index=6: Multilayer_elliptic
+*    index=5: Multilayer_elliptic
+*    index=6: Mirror_toroid_pothole (contrib)
 *
-* %Example: Test_Mirrors.instr gamma=5 Detector: psd3_I=2e-08
+* %Example: Test_Mirrors.instr index=0 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=1 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=2 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=3 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=4 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=5 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=6 gamma=5 Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=0 gamma=0.1 coating=Ref_W_Si.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=1 gamma=0.1 coating=Ref_W_Si.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=2 gamma=0.1 coating=Ref_W_Si.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=3 gamma=0.1 coating=Ref_W_Si.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=4 gamma=0.1 coating=Ref_W_Si.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=5 gamma=0.1 coating=Ref_W_Si.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=0 gamma=0.1 coating=Ref_W_B4C.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=1 gamma=0.1 coating=Ref_W_B4C.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=2 gamma=0.1 coating=Ref_W_B4C.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=3 gamma=0.1 coating=Ref_W_B4C.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=4 gamma=0.1 coating=Ref_W_B4C.txt Detector: psd4_I=2e-08
+* %Example: Test_Mirrors.instr index=5 gamma=0.1 coating=Ref_W_B4C.txt Detector: psd4_I=2e-08
 *
 * %Parameters		
 * gamma: [deg] Nominal glancing angle of mirror
@@ -36,19 +54,21 @@
 *******************************************************************************/
 
 /* Change name of instrument and input parameters with default values */
-DEFINE INSTRUMENT Test_Mirrors(gamma=0.5, int index=1, L=2, radius=1000, E0=12.5)
+DEFINE INSTRUMENT Test_Mirrors(gamma=5, int index=1, L=2, radius=1000, E0=12.5, string coating="None")
 
 INITIALIZE %{
   switch (index) {
     case 0: printf("Using Mirror\n"); break; // OK
     case 1: printf("Using Mirror_elliptic\n"); break; // OK
-    case 2: printf("Using Mirror_parabolic\n"); break;      // not OK: beam UP
+    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; // OK
+    case 6: printf("Using Multilayer_elliptic\n"); break; // not OK
     default: exit(fprintf(stderr, "Unknown Mirror index\n"));
   }
+  /* If "None" is given it in fact means "" */
+  if (!strcmp(coating,"None")) sprintf(coating,"");
 %}
 
 TRACE
@@ -67,16 +87,20 @@ COMPONENT mirror_stage = Arm() // at distance L
 AT(0,0,L) RELATIVE Origin
 ROTATED (gamma, 0, 0) RELATIVE Origin
 
+COMPONENT psd1 = PSD_monitor(filename="ps10", xwidth=5e-2, yheight=2e-1, nx=200, ny=200, restore_xray=1)
+AT(0,0,0) RELATIVE mirror_stage
+ROTATED (90, 0, 0) RELATIVE mirror_stage
+
 // -----------------------------------------------------------------------------
 
 COMPONENT mt0_flat = Mirror(            // default in XZ
-   xwidth=5e-2, zdepth=2e-1, R0=1, coating="")
+   xwidth=5e-2, zdepth=2e-1, R0=1, coating=coating)
 WHEN (index==0) 
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 0) RELATIVE mirror_stage
 
 COMPONENT mt1_ellip = Mirror_elliptic(  // default in XZ
-   xwidth=5e-2, zdepth=2e-1, R0=1, radius=radius, coating="")
+   xwidth=5e-2, zdepth=2e-1, R0=1, radius=radius, coating=coating)
 WHEN (index==1) 
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 0) RELATIVE mirror_stage
@@ -85,47 +109,47 @@ COMPONENT mt2_parab = Mirror_parabolic(  // default in XZ
    xwidth=5e-2, zdepth=2e-1, R0=1, radius=radius)
 WHEN (index==2) 
 AT(0,0,0) RELATIVE mirror_stage
-ROTATED (0, 0, 0) RELATIVE mirror_stage
+ROTATED (0, 0, 180) RELATIVE mirror_stage
 
 COMPONENT mt3_curved = Mirror_curved(   // default in YZ: WARNING: need 90 deg rotation
-   yheight=5e-2, zdepth=2e-1, R0=1, radius=radius, coating="")
+   yheight=5e-2, zdepth=2e-1, R0=1, radius=radius, coating=coating)
 WHEN (index==3) 
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 90) RELATIVE mirror_stage
 
 COMPONENT mt4_toroid = Mirror_toroid(   // default in XZ
-   radius=0.1, radius_o=radius, xwidth=5e-2, zdepth=2e-1,R0=1, coating="")
+   radius=0.1, radius_o=radius, xwidth=5e-2, zdepth=2e-1,R0=1, coating=coating)
 WHEN (index==4) 
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 180) RELATIVE mirror_stage
 
-COMPONENT mt5_toroid_pot = Mirror_toroid_pothole( // default in XZ
-   radius=0.1, radius_o=radius, xwidth=5e-2, zdepth=2e-1,R0=1, coating="")
-WHEN (index==5) 
-AT(0,0,0) RELATIVE mirror_stage
-ROTATED (0, 0, 180) RELATIVE mirror_stage
-
 COMPONENT mt6_multilayer = Multilayer_elliptic( // default in XZ
-    coating = "Ref_W_B4C.txt", theta = gamma,
+    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) 
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (0, 0, 0) RELATIVE mirror_stage
 
+COMPONENT mt5_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) 
+AT(0,0,0) RELATIVE mirror_stage
+ROTATED (0, 0, 180) RELATIVE mirror_stage
+
 // -----------------------------------------------------------------------------
 
 COMPONENT mirror_out = Arm()
 AT(0,0,0) RELATIVE mirror_stage
 ROTATED (gamma,0,0) RELATIVE mirror_stage
 
-COMPONENT psd1 = PSD_monitor(xwidth=0.1, yheight=0.1, filename="psd1", nx=200, ny=200)
+COMPONENT psd2 = PSD_monitor(xwidth=0.1, yheight=0.1, filename="psd2", nx=200, ny=200)
 AT(0,0,L) RELATIVE mirror_out
 
-COMPONENT psd2 = COPY(psd1)(filename="psd2")
+COMPONENT psd3 = COPY(psd2)(filename="psd3")
 AT(0,0,1) RELATIVE PREVIOUS
 
-COMPONENT psd3 = COPY(psd1)(filename="psd3")
+COMPONENT psd4 = COPY(psd2)(filename="psd4")
 AT(0,0,1) RELATIVE PREVIOUS
 
 END

mcxtrace-comps/optics/Mirror_curved.comp

@@ -74,7 +74,8 @@ INITIALIZE
 TRACE
 %{
   double l0, l1, dl, alpha, n, nx, nz, s, k, knx, knz;
-
+  /* dl init - cppcheck complains about algorithm below */
+  dl=0;
   /*do we hit the mirror within range?*/
   // PROP_Z0;
   k = sqrt (scalar_prod (kx, 0, kz, kx, 0, kz));

mcxtrace-comps/optics/Multilayer_elliptic.comp

@@ -128,8 +128,12 @@ INITIALIZE
   if (!Gamma && !Lambda) {
     /*refrain from using kinematical approximation - instead use reflectivity datafile*/
     kinematical = 0;
-    /* reflectivity datafile parsing COATING_UNDEFINED - means set the type according to what is found in the file*/
-    status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL);
+    if (coating && strlen (coating) && strcmp (coating, "NULL")) {
+      status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL);
+    } else {
+      /*assume a constant reflectivity*/
+      status = reflec_Init_const (&re, R0);
+    }
   } else {
     kinematical = 1;
     re.type = KINEMATIC;

mcxtrace-comps/share/perfect_crystals-lib.c

@@ -255,9 +255,7 @@ int Mx_DiffractionDispersion(cdouble kqvals[4], cdouble xi0[4], cdouble xih[4],
         kq=initroots[rootloops];
 #if MCDEBUG
 #ifndef OPENACC
-        fprintf(stderr,"Batterman Cole dispersion Newton Iterations, starting at root =(%.3e + %.3e i) \n",
-                creal(kq), cimag(kq)
-                );
+        fprintf(stderr,"Batterman Cole dispersion Newton Iterations, starting at root =(%.3e + %.3e i) \n", creal(kq), cimag(kq));
 #endif
 #endif
         int stepcount=0;
@@ -276,11 +274,10 @@ int Mx_DiffractionDispersion(cdouble kqvals[4], cdouble xi0[4], cdouble xih[4],
             stepcount++;
 #ifdef MCDEBUG_EXTRA
 #ifndef OPENACC
-        fprintf(stderr,"Batterman Cole dispersion Newton Iterations, starting at root =(%.3e + %.3e i) \n",
-            fprintf(stderr,"Batterman Cole dispersion Newton Iterations, step count=%d, pv=%.3e dv=%.3e "
-                    "kq=(%.3e + %.3e I) shift=%.3e\n",
-                    stepcount,
-                    cabs(pv), cabs(dv), creal(kq), cimag(kq), cabs(dd) );
+        fprintf(stderr,"Batterman Cole dispersion Newton Iterations, starting at root =(%.3e + %.3e i) \n",creal(kq), cimag(kq));
+	fprintf(stderr,"Batterman Cole dispersion Newton Iterations, step count=%d, pv=%.3e dv=%.3e "
+		"kq=(%.3e + %.3e I) shift=%.3e\n",
+		stepcount, cabs(pv), cabs(dv), creal(kq), cimag(kq), cabs(dd) );
 #endif
 #endif
         } while ( ((cabs(dd) > 1e-15) && (stepcount < 20)) );

mcxtrace-comps/share/reflectivity-lib.c

@@ -16,6 +16,11 @@
 int reflec_Init(t_Reflec *R, enum reflec_Type typ, char *file, void *pars){
   if (R==NULL){
     R=calloc(1,sizeof(t_Reflec));
+    /* Exit if allocation failed */
+    if (!R) {
+      fprintf(stderr, "Error, allocting t_Reflect in reflec_Init - exit!\n");
+      exit(-1);
+    }
   }
   int status;
   R->type=typ;
@@ -413,7 +418,7 @@ cdouble reflec_eth_prmtc(t_Reflec r_handle, double g, double e, double th){
 /* Entry function to Parratt's recursive algorithm for multilayers.*/
 cdouble reflec_parratt(t_Reflec r_handle, double q, double g, double k){
     cdouble r,qp,rp;
-    double k2;
+    double k2=k*k;
     cdouble qinf;
     cdouble qpd,rd,p;
     t_reflec_parratt *pp=&(r_handle.prms.rp);