mcxtrace: fix fluo test example values

Author: Emmanuel FARHI

mcxtrace-comps/examples/Tests_samples/Test_FluoPowder/Test_FluoPowder.instr

@@ -5,9 +5,10 @@
 *
 * %Identification
 * Written by: Emmanuel Farhi (emmanuel.farhi.synchrotron-soleil.fr)
-* Date: 2009
-* Origin: SOLEIL
-* Version: 1.0
+* Date: 2025
+* Origin: Synchrotron Soleil
+* Release: McXtrace 3.5
+* Version: $Revision$
 * %INSTRUMENT_SITE: Tests_samples
 *
 * Unit-test instrument for the FluoPowder sample component.
@@ -17,16 +18,16 @@
 * The default sample itself is an LaB6-powder.
 * The idea is to compare the fluorescence and diffraction patterns:
 * - index=1: use PowderN              (no fluorescence)
-* - index=2: use Single_crystal       (no fluorescence, very slow)
+* - index=2: use Single_crystal       (no fluorescence, slower, powder mode)
 * - index=3: use FluoPowder           (exact)
 * - index=4: use Fluorescence         (no diffraction)
-* - index=5: use Fluorescence+PowderN (slow, under estimates contributions)
+* - index=5: use Fluorescence+PowderN (under estimates contributions)
 *
-* %Example: Test_FluoPowder.instr E0=15 index=1 Detector: Sph_mon_I=2.2379e-18
+* %Example: Test_FluoPowder.instr E0=15 index=1 Detector: Sph_mon_I=2.23119e-18
 * %Example: Test_FluoPowder.instr E0=15 index=2 Detector: Sph_mon_I=1.89376e-18
-* %Example: Test_FluoPowder.instr E0=15 index=3 Detector: Sph_mon_I=2.79924e-18
+* %Example: Test_FluoPowder.instr E0=15 index=3 Detector: Sph_mon_I=2.83261e-18
 * %Example: Test_FluoPowder.instr E0=15 index=4 Detector: Sph_mon_I=7.63749e-19
-* %Example: Test_FluoPowder.instr E0=15 index=5 Detector: Sph_mon_I=2.96629e-18
+* %Example: Test_FluoPowder.instr E0=15 index=5 Detector: Sph_mon_I=2.11144e-18
 *
 * %Parameters
 * E0:          [keV]  Source mean energy of xrays.
@@ -37,7 +38,7 @@
 *
 * %End
 *******************************************************************************/
-DEFINE INSTRUMENT Test_FluoPowder(E0=15, dE=1, L1=10, string material="LaB6.cif",
+DEFINE INSTRUMENT Test_FluoPowder(E0=15, dE=0.05, L1=10, string material="LaB6.cif",
     int index=3)
 
 USERVARS %{
@@ -114,7 +115,7 @@ EXTEND %{
   scatt_type = type;
 %}
 
-COMPONENT FluoG = COPY(Fluo)
+COMPONENT FluoG = COPY(Fluo)(p_interact=0.5)
 WHEN (index == 5)
 AT (0, 0, 0) RELATIVE sample_cradle
 GROUP FluPow

mcxtrace-comps/examples/Tests_samples/Test_Fluorescence/Test_Fluorescence.instr

@@ -7,7 +7,7 @@
 * Written by: E. Farhi (emmanuel.farhi@synchrotron-soleil.fr)
 * Date: March '21
 * Origin: Synchrotron SOLEIL
-* Release: McXtrace 1.7
+* Release: McXtrace 3.5
 * Version: $Revision$
 * %INSTRUMENT_SITE: Tests_samples
 *
@@ -17,7 +17,7 @@
 * This instrument simply has a lab source, a few monitors and a sample 
 * to model material fluorescence, Compton and Rayleigh scattering. 
 * 
-* %Example: Test_Fluorescence.instr material=LaB6 -n1e5 Detector: emon_I=7.3e-13
+* %Example: Test_Fluorescence.instr material=LaB6 -n1e5 Detector: emon_I=1.04399e-12
 *
 * %Parameters
 * material: [str]  Material file to use, e.g. chemical formulae "Pb2SnO4"

mcxtrace-comps/examples/Tests_samples/Test_SX/Test_SX.instr

@@ -7,55 +7,73 @@
 * Written by: E. Farhi
 * Date: Sept 26th 2019
 * Origin: Synchrotron Soleil
-* Version: 0.2
+* Release: McXtrace 3.5
+* Version: $Revision$
 * %INSTRUMENT_SITE: Tests_samples
 *
 * Unit-test instrument for the Single_crystal sample component.
 *
 * Simply a model source illuminating a SX sample.
-* The sample itself is a Mo bulk crystal.
+* The default sample itself is a Mo bulk crystal.
 * The idea is to compare the fluorescence and diffraction patterns:
 * - index=1: use Single_crystal
 * - index=2: use FluoCrystal
 * - index=3: use Fluorescence+Single_crystal in a GROUP
 *
-* %Example: index=1 Detector: psd4pi_I=1.18843e-13
-* %Example: index=2 Detector: psd4pi_I=6.89931e-12
-* %Example: index=3 Detector: psd4pi_I=4.4547e-13
+* %Example: index=1 Detector: psd_Diff_I=2.29638e-13
+* %Example: index=2 Detector: psd_Diff_I=6.60276e-14
+* %Example: index=3 Detector: psd_Diff_I=1.19386e-13
 *
 * %Parameters
 * reflections: [str] List of powder reflections, LAU/CIF format.
 * index:       [1]   Index of the sample component to use. 1=Single_crystal, 2=FluoCrystal, 3=Fluorescence+Single_crystal in a GROUP
+* E0:          [keV] Source mean energy of xrays.
+* dE:          [keV] Source energy half spread of x-rays.
 *
 * %End
 *******************************************************************************/
 
-DEFINE INSTRUMENT Test_SX(string reflections="Mo.lau", index=1)
+DEFINE INSTRUMENT Test_SX(string reflections="Mo.lau", int index=1, E0 = 7, dE = 6.9)
 
 USERVARS %{
   int Stype;
 %}
 
+INITIALIZE %{
+  MPI_MASTER(
+    switch (index) {
+      case 1:
+        printf("%s: Using Single_crystal (pure diffraction)\n", NAME_INSTRUMENT); break;
+      case 2:
+        printf("%s: Using FluoCrystal    (fluorescence+diffraction)\n", NAME_INSTRUMENT); break;
+      case 3:
+        printf("%s: Using Fluorescence+Single_crystal in a GROUP (fluorescence+diffraction)\n", NAME_INSTRUMENT); break;
+      default:
+        exit(printf("%s: Unknown sample index %i. Use index=1-4.", NAME_INSTRUMENT, index));
+    });
+  %}
+
 TRACE
 COMPONENT src = Source_flat(
     yheight = 1e-3, xwidth = 1e-3, dist = 10, focus_xw = 1e-3,
-    focus_yh = 1e-3, E0 = 7, dE = 6.9)
+    focus_yh = 1e-3, E0 = E0, dE = dE)
 AT (0, 0, 0) ABSOLUTE
 
 COMPONENT sample_pos=Arm()
 AT (0, 0, 10) RELATIVE PREVIOUS
 
 COMPONENT sample = Single_crystal(reflections=reflections, material_datafile="NULL", 
-    radius = .5e-4, yheight = 1e-3, mosaic=1)
+    radius = .5e-4, yheight = 1e-3, mosaic=5)
     WHEN(index==1)
 AT (0, 0, 0) RELATIVE sample_pos
 EXTEND %{
   if(!SCATTERED) ABSORB;
-  else Stype=DIFFRACTION;
+  else if (hkl_info.type == 'c') Stype=DIFFRACTION;
+  else Stype=FLUORESCENCE;
 %}
 
 COMPONENT sampleF = FluoCrystal(material=reflections,
-    radius = .5e-4, yheight = 1e-3, sx_mosaic=5)
+    radius = .5e-4, yheight = 1e-3, mosaic=5)
     WHEN(index==2)
 AT (0, 0, 0) RELATIVE sample_pos
 EXTEND %{
@@ -64,7 +82,7 @@ EXTEND %{
 %}
 
 COMPONENT FluoG = Fluorescence(
-  radius = .5e-4, yheight = 1e-3, material=reflections)
+  radius = .5e-4, yheight = 1e-3, material=reflections, p_interact=0.5)
 WHEN (index == 3)
 AT (0, 0, 0) RELATIVE sample_pos
 GROUP FluSX
@@ -77,8 +95,10 @@ WHEN (index == 3)
 AT (0, 0, 0) RELATIVE sample_pos
 GROUP FluSX
 EXTEND %{
-  if (SCATTERED) Stype=DIFFRACTION;
-  else ABSORB;
+  if (SCATTERED) {
+    if (hkl_info.type == 'c') Stype=DIFFRACTION;
+    else Stype=FLUORESCENCE;
+  } else ABSORB;
 %}
 
 COMPONENT psd4pi = PSD_monitor_4PI(