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-rw-r--r--libcrystfel/src/geometry.c30
-rw-r--r--libcrystfel/src/geometry.h7
-rw-r--r--libcrystfel/src/predict-refine.c6
-rw-r--r--tests/prediction_gradient_check.c78
4 files changed, 73 insertions, 48 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index a1b76a87..b6ede348 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -1079,7 +1079,8 @@ void polarisation_correction(RefList *list, UnitCell *cell,
/* Returns dx_h/dP, where P = any parameter */
-double x_gradient(int param, Reflection *refl, UnitCell *cell, struct panel *p)
+double x_gradient(int param, Reflection *refl, UnitCell *cell,
+ struct detgeom_panel *p)
{
signed int h, k, l;
double xl, zl, kpred;
@@ -1096,13 +1097,13 @@ double x_gradient(int param, Reflection *refl, UnitCell *cell, struct panel *p)
switch ( param ) {
case GPARAM_ASX :
- return h * p->clen / (kpred + zl);
+ return h * p->cnz * p->pixel_pitch / (kpred + zl);
case GPARAM_BSX :
- return k * p->clen / (kpred + zl);
+ return k * p->cnz * p->pixel_pitch / (kpred + zl);
case GPARAM_CSX :
- return l * p->clen / (kpred + zl);
+ return l * p->cnz * p->pixel_pitch / (kpred + zl);
case GPARAM_ASY :
return 0.0;
@@ -1114,13 +1115,13 @@ double x_gradient(int param, Reflection *refl, UnitCell *cell, struct panel *p)
return 0.0;
case GPARAM_ASZ :
- return -h * xl * p->clen / (kpred*kpred + 2.0*kpred*zl + zl*zl);
+ return -h * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
case GPARAM_BSZ :
- return -k * xl * p->clen / (kpred*kpred + 2.0*kpred*zl + zl*zl);
+ return -k * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
case GPARAM_CSZ :
- return -l * xl * p->clen / (kpred*kpred + 2.0*kpred*zl + zl*zl);
+ return -l * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
case GPARAM_DETX :
return -1;
@@ -1139,7 +1140,8 @@ double x_gradient(int param, Reflection *refl, UnitCell *cell, struct panel *p)
/* Returns dy_h/dP, where P = any parameter */
-double y_gradient(int param, Reflection *refl, UnitCell *cell, struct panel *p)
+double y_gradient(int param, Reflection *refl, UnitCell *cell,
+ struct detgeom_panel *p)
{
signed int h, k, l;
double yl, zl, kpred;
@@ -1165,22 +1167,22 @@ double y_gradient(int param, Reflection *refl, UnitCell *cell, struct panel *p)
return 0.0;
case GPARAM_ASY :
- return h * p->clen / (kpred + zl);
+ return h * p->cnz * p->pixel_pitch / (kpred + zl);
case GPARAM_BSY :
- return k * p->clen / (kpred + zl);
+ return k * p->cnz * p->pixel_pitch / (kpred + zl);
case GPARAM_CSY :
- return l * p->clen / (kpred + zl);
+ return l * p->cnz * p->pixel_pitch / (kpred + zl);
case GPARAM_ASZ :
- return -h * yl * p->clen / (kpred*kpred + 2.0*kpred*zl + zl*zl);
+ return -h * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
case GPARAM_BSZ :
- return -k * yl * p->clen / (kpred*kpred + 2.0*kpred*zl + zl*zl);
+ return -k * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
case GPARAM_CSZ :
- return -l * yl * p->clen / (kpred*kpred + 2.0*kpred*zl + zl*zl);
+ return -l * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
case GPARAM_DETX :
return 0;
diff --git a/libcrystfel/src/geometry.h b/libcrystfel/src/geometry.h
index afaa9d6c..eb991a27 100644
--- a/libcrystfel/src/geometry.h
+++ b/libcrystfel/src/geometry.h
@@ -8,7 +8,7 @@
* Copyright © 2012 Richard Kirian
*
* Authors:
- * 2010-2016 Thomas White <taw@physics.org>
+ * 2010-2020 Thomas White <taw@physics.org>
* 2012 Richard Kirian
*
* This file is part of CrystFEL.
@@ -39,6 +39,7 @@
#include "reflist.h"
#include "cell.h"
#include "crystal.h"
+#include "detgeom.h"
#ifdef __cplusplus
extern "C" {
@@ -122,9 +123,9 @@ extern double sphere_fraction(double rlow, double rhigh, double pr);
extern double gaussian_fraction(double rlow, double rhigh, double pr);
extern double x_gradient(int param, Reflection *refl, UnitCell *cell,
- struct panel *p);
+ struct detgeom_panel *p);
extern double y_gradient(int param, Reflection *refl, UnitCell *cell,
- struct panel *p);
+ struct detgeom_panel *p);
#ifdef __cplusplus
}
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c
index 0b33c211..bb8c5c35 100644
--- a/libcrystfel/src/predict-refine.c
+++ b/libcrystfel/src/predict-refine.c
@@ -79,15 +79,15 @@ struct reflpeak {
static void twod_mapping(double fs, double ss, double *px, double *py,
- struct panel *p)
+ struct detgeom_panel *p)
{
double xs, ys;
xs = fs*p->fsx + ss*p->ssx;
ys = fs*p->fsy + ss*p->ssy;
- *px = (xs + p->cnx) / p->res;
- *py = (ys + p->cny) / p->res;
+ *px = (xs + p->cnx) * p->pixel_pitch;
+ *py = (ys + p->cny) * p->pixel_pitch;
}
diff --git a/tests/prediction_gradient_check.c b/tests/prediction_gradient_check.c
index 8c5cb1e4..098ea9b9 100644
--- a/tests/prediction_gradient_check.c
+++ b/tests/prediction_gradient_check.c
@@ -47,20 +47,21 @@ int checkrxy;
static void twod_mapping(double fs, double ss, double *px, double *py,
- struct panel *p)
+ struct detgeom_panel *p)
{
double xs, ys;
xs = fs*p->fsx + ss*p->ssx;
ys = fs*p->fsy + ss*p->ssy;
- *px = (xs + p->cnx) / p->res;
- *py = (ys + p->cny) / p->res;
+ *px = (xs + p->cnx) * p->pixel_pitch;
+ *py = (ys + p->cny) * p->pixel_pitch;
}
static void scan(RefList *reflections, RefList *compare,
- int *valid, long double *vals[3], int idx)
+ int *valid, long double *vals[3], int idx,
+ struct detgeom *det)
{
int i;
Reflection *refl;
@@ -74,7 +75,7 @@ static void scan(RefList *reflections, RefList *compare,
signed int h, k, l;
Reflection *refl2;
double fs, ss, xh, yh;
- struct panel *panel;
+ int pn;
get_indices(refl, &h, &k, &l);
refl2 = find_refl(compare, h, k, l);
@@ -85,8 +86,8 @@ static void scan(RefList *reflections, RefList *compare,
}
get_detector_pos(refl2, &fs, &ss);
- panel = get_panel(refl2);
- twod_mapping(fs, ss, &xh, &yh, panel);
+ pn = get_panel_number(refl2);
+ twod_mapping(fs, ss, &xh, &yh, &det->panels[pn]);
switch ( checkrxy ) {
@@ -176,7 +177,8 @@ static Crystal *new_shifted_crystal(Crystal *cr, int refine, double incr_val)
static void calc_either_side(Crystal *cr, double incr_val,
- int *valid, long double *vals[3], int refine)
+ int *valid, long double *vals[3],
+ int refine, struct detgeom *det)
{
RefList *compare;
struct image *image = crystal_get_image(cr);
@@ -184,14 +186,14 @@ static void calc_either_side(Crystal *cr, double incr_val,
cr_new = new_shifted_crystal(cr, refine, -incr_val);
compare = predict_to_res(cr_new, largest_q(image));
- scan(crystal_get_reflections(cr), compare, valid, vals, 0);
+ scan(crystal_get_reflections(cr), compare, valid, vals, 0, det);
cell_free(crystal_get_cell(cr_new));
crystal_free(cr_new);
reflist_free(compare);
cr_new = new_shifted_crystal(cr, refine, +incr_val);
compare = predict_to_res(cr_new, largest_q(image));
- scan(crystal_get_reflections(cr), compare, valid, vals, 2);
+ scan(crystal_get_reflections(cr), compare, valid, vals, 2, det);
cell_free(crystal_get_cell(cr_new));
crystal_free(cr_new);
reflist_free(compare);
@@ -200,7 +202,7 @@ static void calc_either_side(Crystal *cr, double incr_val,
static double test_gradients(Crystal *cr, double incr_val, int refine,
const char *str, const char *file,
- int quiet, int plot)
+ int quiet, int plot, struct detgeom *det)
{
Reflection *refl;
RefListIterator *iter;
@@ -243,9 +245,9 @@ static double test_gradients(Crystal *cr, double incr_val, int refine,
}
for ( i=0; i<nref; i++ ) valid[i] = 1;
- scan(reflections, reflections, valid, vals, 1);
+ scan(reflections, reflections, valid, vals, 1, det);
- calc_either_side(cr, incr_val, valid, vals, refine);
+ calc_either_side(cr, incr_val, valid, vals, refine, det);
if ( plot ) {
snprintf(tmp, 32, "gradient-test-%s.dat", file);
@@ -296,11 +298,11 @@ static double test_gradients(Crystal *cr, double incr_val, int refine,
if ( checkrxy == 1 ) {
cgrad = x_gradient(refine, refl,
crystal_get_cell(cr),
- &image->det->panels[0]);
+ &image->detgeom->panels[0]);
} else {
cgrad = y_gradient(refine, refl,
crystal_get_cell(cr),
- &image->det->panels[0]);
+ &image->detgeom->panels[0]);
}
}
@@ -409,10 +411,24 @@ int main(int argc, char *argv[])
}
- image.det = simple_geometry(&image, 1024, 1024);
- image.det->panels[0].res = 13333.3;
- image.det->panels[0].clen = 80e-3;
- image.det->panels[0].coffset = 0.0;
+ image.detgeom = malloc(sizeof(struct detgeom));
+ image.detgeom->n_panels = 1;
+ image.detgeom->panels = malloc(sizeof(struct detgeom_panel));
+ image.detgeom->panels[0].name = "panel";
+ image.detgeom->panels[0].adu_per_photon = 1.0;
+ image.detgeom->panels[0].max_adu = INFINITY;
+ image.detgeom->panels[0].fsx = 1.0;
+ image.detgeom->panels[0].fsy = 0.0;
+ image.detgeom->panels[0].fsz = 0.0;
+ image.detgeom->panels[0].ssx = 0.0;
+ image.detgeom->panels[0].ssy = 1.0;
+ image.detgeom->panels[0].ssz = 0.0;
+ image.detgeom->panels[0].cnx = -500.0;
+ image.detgeom->panels[0].cny = -500.0;
+ image.detgeom->panels[0].cnz = 1000.0; /* pixels */
+ image.detgeom->panels[0].w = 1000;
+ image.detgeom->panels[0].h = 1000;
+ image.detgeom->panels[0].pixel_pitch = 75e-6;
image.lambda = ph_en_to_lambda(eV_to_J(8000.0));
image.div = 1e-3;
@@ -465,15 +481,18 @@ int main(int argc, char *argv[])
incr_val = incr_frac * ax;
val = test_gradients(cr, incr_val, GPARAM_ASX,
- "ax*", "ax", quiet, plot);
+ "ax*", "ax", quiet, plot,
+ image.detgeom);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * bx;
val = test_gradients(cr, incr_val, GPARAM_BSX,
- "bx*", "bx", quiet, plot);
+ "bx*", "bx", quiet, plot,
+ image.detgeom);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * cx;
val = test_gradients(cr, incr_val, GPARAM_CSX,
- "cx*", "cx", quiet, plot);
+ "cx*", "cx", quiet, plot,
+ image.detgeom);
if ( val < 0.99 ) fail = 1;
}
@@ -482,30 +501,33 @@ int main(int argc, char *argv[])
incr_val = incr_frac * ay;
val = test_gradients(cr, incr_val, GPARAM_ASY,
- "ay*", "ay", quiet, plot);
+ "ay*", "ay", quiet, plot,
+ image.detgeom);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * by;
val = test_gradients(cr, incr_val, GPARAM_BSY,
- "by*", "by", quiet, plot);
+ "by*", "by", quiet, plot,
+ image.detgeom);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * cy;
val = test_gradients(cr, incr_val, GPARAM_CSY,
- "cy*", "cy", quiet, plot);
+ "cy*", "cy", quiet, plot,
+ image.detgeom);
if ( val < 0.99 ) fail = 1;
}
incr_val = incr_frac * az;
val = test_gradients(cr, incr_val, GPARAM_ASZ, "az*", "az",
- quiet, plot);
+ quiet, plot, image.detgeom);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * bz;
val = test_gradients(cr, incr_val, GPARAM_BSZ, "bz*", "bz",
- quiet, plot);
+ quiet, plot, image.detgeom);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * cz;
val = test_gradients(cr, incr_val, GPARAM_CSZ, "cz*", "cz",
- quiet, plot);
+ quiet, plot, image.detgeom);
if ( val < 0.99 ) fail = 1;
}
generated by cgit v1.2.3 (git 2.25.1) at 2024-06-03 05:41:10 +0000