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authorThomas White <taw@physics.org>2021-03-11 14:18:18 +0100
committerThomas White <taw@physics.org>2021-03-11 16:10:54 +0100
commit9f180701f20cf900e9b31d7e678b6acd1673ea81 (patch)
tree9f67f403a19f084bc07e3436bb92922b1cc32d1e /libcrystfel/src
parent233b566a1a4e0f967be0a3f2cf176d8da4993891 (diff)
PinkIndexer: Use fake camera length for detector refinement
... and calculate the real value afterwards, checking that the detector is really flat enough for it to work.
Diffstat (limited to 'libcrystfel/src')
-rw-r--r--libcrystfel/src/indexers/pinkindexer.c82
1 files changed, 51 insertions, 31 deletions
diff --git a/libcrystfel/src/indexers/pinkindexer.c b/libcrystfel/src/indexers/pinkindexer.c
index 6f95dd9b..25bcdd4e 100644
--- a/libcrystfel/src/indexers/pinkindexer.c
+++ b/libcrystfel/src/indexers/pinkindexer.c
@@ -42,6 +42,9 @@
#include "cell-utils.h"
#include "peaks.h"
+
+#define FAKE_CLEN (0.25)
+
struct pinkIndexer_options {
unsigned int considered_peaks_count;
unsigned int angle_resolution;
@@ -81,6 +84,39 @@ static void reduceReciprocalCell(UnitCell* cell, LatticeTransform_t* appliedRedu
static void restoreReciprocalCell(UnitCell *cell, LatticeTransform_t* appliedReductionTransform);
static void makeRightHanded(UnitCell* cell);
+
+static double mean_clen(struct detgeom *dg)
+{
+ int i;
+ double total = 0.0;
+ for ( i=0; i<dg->n_panels; i++ ) {
+ total += dg->panels[i].cnz;
+ }
+ return total / dg->n_panels;
+}
+
+
+static void scale_detector_shift(double fake_clen,
+ struct detgeom *dg,
+ double inx, double iny,
+ double *pdx, double *pdy)
+{
+ int i;
+ double mean = mean_clen(dg);
+ for ( i=0; i<dg->n_panels; i++ ) {
+ if ( !within_tolerance(dg->panels[i].cnz, mean, 2.0) ) {
+ ERROR("WARNING: Detector is not flat enough to apply "
+ "detector position offset\n");
+ *pdx = 0.0;
+ *pdy = 0.0;
+ return;
+ }
+ }
+ *pdx = (mean/fake_clen)*inx;
+ *pdy = (mean/fake_clen)*iny;
+}
+
+
int run_pinkIndexer(struct image *image, void *ipriv)
{
struct pinkIndexer_private_data* pinkIndexer_private_data = (struct pinkIndexer_private_data*) ipriv;
@@ -163,14 +199,19 @@ int run_pinkIndexer(struct image *image, void *ipriv)
ERROR("pinkIndexer: problem with returned cell!\n");
} else {
+ double dx, dy;
Crystal *cr = crystal_new();
if ( cr == NULL ) {
ERROR("Failed to allocate crystal.\n");
return 0;
}
crystal_set_cell(cr, new_cell_trans);
- crystal_set_det_shift(cr, center_shift[0],
- center_shift[1]);
+ scale_detector_shift(FAKE_CLEN,
+ image->detgeom,
+ center_shift[0],
+ center_shift[1],
+ &dx, &dy);
+ crystal_set_det_shift(cr, dx, dy);
image_add_crystal(image, cr);
indexed++;
@@ -182,13 +223,6 @@ int run_pinkIndexer(struct image *image, void *ipriv)
}
-static int want_center_adjustment(struct pinkIndexer_options *pinkIndexer_opts)
-{
- return (pinkIndexer_opts->refinement_type ==
- REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersCenterAdjustmentMultiSeed);
-}
-
-
void *pinkIndexer_prepare(IndexingMethod *indm,
UnitCell *cell,
struct pinkIndexer_options *pinkIndexer_opts,
@@ -204,18 +238,6 @@ void *pinkIndexer_prepare(IndexingMethod *indm,
beamEenergy_eV = J_to_eV(ph_lambda_to_en(wavelength_estimate));
}
- if ( !data_template_has_fixed_geometry(dtempl)
- && want_center_adjustment(pinkIndexer_opts) )
- {
-
- ERROR("Geometry file refers to image metadata for "
- "detector position.\n");
- ERROR("To use PinkIndexer with image center "
- "refinement, use a fixed detector position in "
- "the geometry file.\n");
- return NULL;
- }
-
if ( cell == NULL ) {
ERROR("Unit cell information is required for "
"PinkIndexer.\n");
@@ -245,13 +267,6 @@ void *pinkIndexer_prepare(IndexingMethod *indm,
.bx = bsz * 1e-10, .by = bsx * 1e-10, .bz = bsy * 1e-10,
.cx = csz * 1e-10, .cy = csx * 1e-10, .cz = csy * 1e-10 };
- float detectorDistance_m;
- if ( data_template_has_fixed_geometry(dtempl) ) {
- detectorDistance_m = 0.25; /* fake value */
- } else {
- /* FIXME: Cannot get clen here without violating abstraction */
- detectorDistance_m = det->panels[0].clen + det->panels[0].coffset;
- }
/* FIXME: Beam gone */
float nonMonochromaticity = beam->bandwidth*5;
@@ -279,9 +294,14 @@ void *pinkIndexer_prepare(IndexingMethod *indm,
float tolerance = pinkIndexer_opts->tolerance;
Lattice_t sampleReciprocalLattice_1_per_A = lattice;
float detectorRadius_m = 0.03; //fake, only for prediction
- ExperimentSettings* experimentSettings = ExperimentSettings_new(beamEenergy_eV, detectorDistance_m,
- detectorRadius_m, divergenceAngle_deg, nonMonochromaticity, sampleReciprocalLattice_1_per_A, tolerance,
- reflectionRadius_1_per_A);
+ ExperimentSettings *experimentSettings = ExperimentSettings_new(beamEenergy_eV,
+ FAKE_CLEN,
+ detectorRadius_m,
+ divergenceAngle_deg,
+ nonMonochromaticity,
+ sampleReciprocalLattice_1_per_A,
+ tolerance,
+ reflectionRadius_1_per_A);
consideredPeaksCount_t consideredPeaksCount = pinkIndexer_opts->considered_peaks_count;
angleResolution_t angleResolution = pinkIndexer_opts->angle_resolution;