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Fix of Single_crystal reuse optimization #1726

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Fix of Single_crystal reuse optimization #1726

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30 changes: 25 additions & 5 deletions mcstas-comps/examples/Tests_grammar/Unittest_SPLIT_sample/Unittest_SPLIT_sample.instr
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Original file line number Diff line number Diff line change
Expand Up @@ -21,9 +21,15 @@
* %Example: SAMPLE=2 SPLITS=1 Detector: PSD_I=1
* %Example: SAMPLE=2 SPLITS=10 Detector: PSD_I=10
* %Example: SAMPLE=2 SPLITS=100 Detector: PSD_I=100
* %Example: SAMPLE=3 SPLITS=1 Detector: PSD_I=1
* %Example: SAMPLE=3 SPLITS=10 Detector: PSD_I=10
* %Example: SAMPLE=3 SPLITS=100 Detector: PSD_I=100
* %Example: SAMPLE=3 SPLITS=1 Detector: PSD_I=0.999001
* %Example: SAMPLE=3 SPLITS=1 Detector: PSD_transmission_I=0.00071068
* %Example: SAMPLE=3 SPLITS=1 Detector: PSD_scattered_I=0.00182805
* %Example: SAMPLE=3 SPLITS=10 Detector: PSD_I=9.99001
* %Example: SAMPLE=3 SPLITS=10 Detector: PSD_transmission_I=0.007122
* %Example: SAMPLE=3 SPLITS=10 Detector: PSD_scattered_I=0.0183156
* %Example: SAMPLE=3 SPLITS=100 Detector: PSD_I=99.9001
* %Example: SAMPLE=3 SPLITS=100 Detector: PSD_transmission_I=0.070845
* %Example: SAMPLE=3 SPLITS=100 Detector: PSD_scattered_I=0.182056
*
* %P
* SPLITS: [1] Number of SPLIT to do
Expand Down Expand Up @@ -82,16 +88,30 @@ EXTEND %{
p = INSTRUMENT_GETPAR(Pp0);
%}

COMPONENT SX = Single_crystal(radius=0.01,reflections="Al.lau",mosaic=20)
COMPONENT SX = Single_crystal(radius=0.01,reflections="Al.lau",mosaic=20,order=1)
WHEN (SAMPLE==3) AT (0,0,0.1) RELATIVE Slit
EXTEND %{
if(!SCATTERED) ABSORB;
p = INSTRUMENT_GETPAR(Pp0);
%}


COMPONENT PSD = PSD_monitor_4PI(radius=1, filename="splits", nx=100, ny=100)
COMPONENT PSD = PSD_monitor_4PI(radius=1, filename="splits", nx=100, ny=100, restore_neutron=1)
AT (0,0,0) RELATIVE Incoh

COMPONENT PSD_transmission = PSD_monitor(xwidth=0.01, yheight=0.01, filename="splits_transmission", nx=100, ny=100, restore_neutron=1)
AT (0,0,0.1) RELATIVE Incoh

COMPONENT detector_direction_1 = Arm()
AT (0,0,0) RELATIVE Incoh
ROTATED (0, 29.65, 0) RELATIVE Incoh

COMPONENT detector_direction_2 = Arm()
AT (0,0,0) RELATIVE Incoh
ROTATED (26.3, 0, 0) RELATIVE detector_direction_1

COMPONENT PSD_scattered = PSD_monitor(xwidth=0.02, yheight=0.02, filename="splits_scattered", nx=100, ny=100, restore_neutron=1)
AT (0,0,0.5) RELATIVE detector_direction_2

FINALLY
%{
Expand Down
15 changes: 12 additions & 3 deletions mcstas-comps/samples/Single_crystal.comp
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Expand Up @@ -1080,6 +1080,7 @@ DECLARE
struct hkl_info_struct hkl_info;
off_struct offdata;
struct hkl_data *hkl_list;
struct tau_data tau_list_initial[MCSX_REFL_SLIST_SIZE];
struct tau_data tau_list[MCSX_REFL_SLIST_SIZE];
%}

Expand Down Expand Up @@ -1297,7 +1298,7 @@ TRACE
itype = 0;

#ifndef OPENACC
T = tau_list;
T = tau_list_initial;
hkl_info.type = type;
#endif
do { /* Loop over multiple scattering events */
Expand Down Expand Up @@ -1390,10 +1391,17 @@ TRACE


/* (2). Intersection of Ewald sphere with reciprocal lattice points */

double coh_xsect = 0, coh_refl = 0;
/* in case we use 'SPLIT' then consecutive neutrons can be identical when entering here
and we may skip the hkl_search call */
and we may skip the hkl_search call. One tau_list is reserved for data for the initial
ray results so that it potentially can be reused later. */
if (event_counter==0) {
T = tau_list_initial;
} else {
T = tau_list;
}

#ifndef OPENACC
if (order==1 && fabs(kix - hkl_info.kix) < deltak
&& fabs(kiy - hkl_info.kiy) < deltak
Expand All @@ -1404,6 +1412,7 @@ TRACE
coh_refl = hkl_info.coh_refl;
coh_xsect = hkl_info.coh_xsect;
tau_count = hkl_info.tau_count;
T = tau_list_initial;

} else {
#endif
Expand Down
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