mcxtrace: Test PowderN: fix example values, add FluoPowder, remove TTH arm

Author: Emmanuel FARHI

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

@@ -15,15 +15,11 @@
 * %Description
 * Simply a model source illuminating a powder sample.
 * The default sample itself is an LaB6-powder. 
-* Alternatively, the Single_crystal component can also be tested in powder mode.
+* Alternatively, the Single_crystal (powder mode) and FluoPowder components can also be tested.
 *
-* %Example: Test_PowderN.instr reflections="Fe_bcc229_lt13deg.dat" -n1e7 TTH=13.4 d_phi=45 frac_i=0 Detector: Sph_mon_I=2.68295e-14
-* %Example: Test_PowderN.instr E0=15 Detector: Sph_mon_I=6.24257e-12
-* %Example: Test_PowderN.instr E0=15 d_phi=10 Detector: Sph_mon_I=6.59782e-13
-* %Example: Test_PowderN.instr E0=15 directbeam=1 SPLITS=2 Detector: Sph_mon_I=7.94366e-10
-* %Example: Test_PowderN.instr E0=15 directbeam=1 SPLITS=5 Detector: Sph_mon_I=7.94366e-10
-* %Example: Test_PowderN.instr E0=15 directbeam=1 SPLITS=10 Detector: Sph_mon_I=7.94366e-10
-* %Example: Test_PowderN.instr E0=15 directbeam=1 SPLITS=20 Detector: Sph_mon_I=7.94366e-10
+* %Example: index=1 Detector: Sph_mon_I=1.26755e-11
+* %Example: index=2 Detector: Sph_mon_I=4.44793e-13
+* %Example: index=3 Detector: Sph_mon_I=5.23579e-11
 *
 * %Parameters
 * E0:          [keV]  Source energy (width 1 keV)
@@ -34,14 +30,13 @@
 * frac_c:      [1]    Fraction of stats assigned to coherent scattering
 * frac_i:      [1]    Fraction of stats assigned to incoherent scattering
 * frac_t:      [1]    Fraction of stats assigned to unscattered, "direct beam"
-* TTH:         [deg]  Rotation of secondary detector arm.
 * d_phi:       [deg]  Angle corresponding to the vertical angular range to focus to, e.g. detector height. 0 for no focusing.
-* index:       [1]    Index of the sample component to use. 1=PowderN, 2=Single_crystal
+* index:       [1]    Index of the sample component to use. 1=PowderN, 2=Single_crystal, 3=FluoPowder
 *
 * %End
 *******************************************************************************/
-DEFINE INSTRUMENT Test_PowderN(E0=15, L1=10, int directbeam=0, string reflections="LaB6_660b_AVID2.hkl", 
-  int SPLITS=1, frac_c=0.8, frac_i=0.1, frac_t=0.1, d_phi=0, TTH=0, int index=1)
+DEFINE INSTRUMENT Test_PowderN(E0=15, L1=10, int directbeam=0, string reflections="LaB6.cif",
+  int SPLITS=1, frac_c=0.8, frac_i=0.1, frac_t=0.1, d_phi=0, int index=1)
 
 TRACE
 
@@ -61,7 +56,7 @@ SPLIT SPLITS COMPONENT sample_cradle = Arm()
 COMPONENT Pow = PowderN(
     radius=0.5e-4, yheight=1e-3, reflections=reflections,format={ 4,5,7,0,0,0,0,0 },
     p_inc=frac_i, p_transmit=frac_t, p_interact=frac_c,
-    d_phi=d_phi, pack = 0.5, Vc = 123)
+    d_phi=d_phi, pack = 0.5)
 WHEN (index == 1)
 AT (0, 0, 0) RELATIVE sample_cradle
 EXTEND %{
@@ -74,7 +69,7 @@ EXTEND %{
 
 COMPONENT SX = Single_crystal(
     radius=0.5e-4, yheight=1e-3, reflections=reflections,powder=1,
-    p_transmit=frac_t, mosaic=1e-3, sigma_inc=-1)
+    p_transmit=frac_t, mosaic=1, sigma_inc=-1)
 WHEN (index == 2)
 AT (0, 0, 0) RELATIVE sample_cradle
 EXTEND %{
@@ -85,20 +80,24 @@ EXTEND %{
   }
 %}
 
+COMPONENT FlPow = FluoPowder(
+  radius=0.5e-4, yheight=1e-3, material=reflections, powder_d_phi=d_phi,
+  packing_factor = 0.5, p_interact=frac_c)
+WHEN (index == 3)
+AT (0, 0, 0) RELATIVE sample_cradle
+EXTEND %{
+  if(INSTRUMENT_GETPAR(directbeam) == 0) {
+    if (!SCATTERED) {
+      ABSORB;
+    }
+  }
+  %}
+
 // detectors -------------------------------------------------------------------
 
 COMPONENT Sph_mon = PSD_monitor_4PI(nx=200,ny=200, radius=1, restore_xray=1, filename="Sphere")
   AT (0, 0, 0) RELATIVE PREVIOUS
 
-COMPONENT ttharm= Arm()
-AT(0,0,0) RELATIVE Pow
-ROTATED (0,TTH,0) RELATIVE Pow
-
-COMPONENT detector2 = PSD_monitor(
-    nx=200, ny=200, xwidth=2e-3, yheight=1e-2, filename="psd2",restore_xray=1
-)
-AT(0,0,0.1) RELATIVE ttharm
-
 // ideal "banana" detector
 COMPONENT det_angle = Monitor_nD(options="abs theta limits=[5 90]",
   radius=0.6, yheight=1e-2, bins=10000)