diff options
Diffstat (limited to 'libcrystfel/src/indexers/pinkindexer.c')
| -rw-r--r-- | libcrystfel/src/indexers/pinkindexer.c | 61 |
1 files changed, 14 insertions, 47 deletions
diff --git a/libcrystfel/src/indexers/pinkindexer.c b/libcrystfel/src/indexers/pinkindexer.c index 149bb5bd..5cb979a9 100644 --- a/libcrystfel/src/indexers/pinkindexer.c +++ b/libcrystfel/src/indexers/pinkindexer.c @@ -43,8 +43,6 @@ #include "peaks.h" -#define FAKE_CLEN (0.25) - struct pinkIndexer_options { unsigned int considered_peaks_count; unsigned int angle_resolution; @@ -81,39 +79,6 @@ static void restoreReciprocalCell(UnitCell *cell, LatticeTransform_t* appliedRed static void makeRightHanded(UnitCell* cell); -/* Return mean clen in m */ -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 * dg->panels[i].pixel_pitch; - } - 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*dg->panels[i].pixel_pitch, 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, int n_threads) { struct pinkIndexer_private_data *pinkIndexer_private_data = ipriv; @@ -206,19 +171,14 @@ int run_pinkIndexer(struct image *image, void *ipriv, int n_threads) 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); - scale_detector_shift(FAKE_CLEN, - image->detgeom, - center_shift[0], - center_shift[1], - &dx, &dy); - crystal_set_det_shift(cr, dx, dy); + crystal_set_det_shift(cr, center_shift[0], + center_shift[1]); image_add_crystal(image, cr); indexed++; @@ -233,7 +193,8 @@ int run_pinkIndexer(struct image *image, void *ipriv, int n_threads) void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell, struct pinkIndexer_options *pinkIndexer_opts, - double wavelength_estimate) + double wavelength_estimate, + double clen_estimate) { float beamEenergy_eV; @@ -245,9 +206,14 @@ void *pinkIndexer_prepare(IndexingMethod *indm, beamEenergy_eV = J_to_eV(ph_lambda_to_en(wavelength_estimate)); } + if ( isnan(clen_estimate) ) { + ERROR("PinkIndexer requires a camera length estimate. " + "Try again with --camera-length-estimate=xx\n"); + return NULL; + } + if ( cell == NULL ) { - ERROR("Unit cell information is required for " - "PinkIndexer.\n"); + ERROR("Unit cell information is required for PinkIndexer.\n"); return NULL; } @@ -294,7 +260,7 @@ void *pinkIndexer_prepare(IndexingMethod *indm, Lattice_t sampleReciprocalLattice_1_per_A = lattice; float detectorRadius_m = 0.03; //fake, only for prediction ExperimentSettings *experimentSettings = ExperimentSettings_new(beamEenergy_eV, - FAKE_CLEN, + clen_estimate, detectorRadius_m, divergenceAngle_deg, nonMonochromaticity, @@ -420,7 +386,8 @@ int run_pinkIndexer(struct image *image, void *ipriv, int n_threads) extern void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell, struct pinkIndexer_options *pinkIndexer_opts, - double wavelength_estimate) + double wavelength_estimate, + double clen_estimate) { ERROR("This copy of CrystFEL was compiled without PINKINDEXER support.\n"); ERROR("To use PINKINDEXER indexing, recompile with PINKINDEXER.\n"); |