diff options
Diffstat (limited to 'libcrystfel/src/pinkindexer.c')
| -rw-r--r-- | libcrystfel/src/pinkindexer.c | 30 |
1 files changed, 15 insertions, 15 deletions
diff --git a/libcrystfel/src/pinkindexer.c b/libcrystfel/src/pinkindexer.c index fe3b1625..eb8ec05e 100644 --- a/libcrystfel/src/pinkindexer.c +++ b/libcrystfel/src/pinkindexer.c @@ -154,26 +154,19 @@ int run_pinkIndexer(struct image *image, void *ipriv) } void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell, - struct pinkIndexer_options *pinkIndexer_opts) + struct pinkIndexer_options *pinkIndexer_opts, + struct detector *det, struct beam_params *beam) { - if (pinkIndexer_opts->beamEnergy == 0.0) { + if ( beam->photon_energy_from != NULL ) { ERROR("For pinkIndexer, the photon_energy must be defined as a " "constant in the geometry file\n"); return NULL; } - if (pinkIndexer_opts->beamBandwidth == 0.0) { - STATUS("Using default bandwidth of 0.01 for pinkIndexer\n"); - pinkIndexer_opts->beamBandwidth = 0.01; - } - if (pinkIndexer_opts->detectorDistance == 0.0 && pinkIndexer_opts->refinement_type == + if ( (det->panels[0].clen_from != NULL) && pinkIndexer_opts->refinement_type == REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersCenterAdjustmentMultiSeed) { ERROR("Using center refinement makes it necessary to have the detector distance fixed in the geometry file!"); } - if(pinkIndexer_opts->detectorDistance <= 0.0){ - pinkIndexer_opts->detectorDistance = 0.25; //fake value - } - struct pinkIndexer_private_data* pinkIndexer_private_data = malloc(sizeof(struct pinkIndexer_private_data)); allocReciprocalPeaks(&(pinkIndexer_private_data->reciprocalPeaks_1_per_A)); pinkIndexer_private_data->intensities = malloc(MAX_PEAK_COUNT_FOR_INDEXER * sizeof(float)); @@ -199,9 +192,15 @@ void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell, .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 = pinkIndexer_opts->detectorDistance; - float beamEenergy_eV = pinkIndexer_opts->beamEnergy; - float nonMonochromaticity = pinkIndexer_opts->beamBandwidth; + float detectorDistance_m; + if ( det->panels[0].clen_from != NULL ) { + detectorDistance_m = 0.25; /* fake value */ + } else { + detectorDistance_m = det->panels[0].clen + det->panels[0].coffset; + } + + float beamEenergy_eV = beam->photon_energy; + float nonMonochromaticity = beam->bandwidth; float reflectionRadius_1_per_A; if (pinkIndexer_opts->reflectionRadius < 0) { reflectionRadius_1_per_A = 0.02 @@ -350,7 +349,8 @@ int run_pinkIndexer(struct image *image, void *ipriv) } extern void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell, - struct pinkIndexer_options *pinkIndexer_opts) + struct pinkIndexer_options *pinkIndexer_opts, + struct detector *det, struct beam_params *beam) { ERROR("This copy of CrystFEL was compiled without PINKINDEXER support.\n"); ERROR("To use PINKINDEXER indexing, recompile with PINKINDEXER.\n"); |