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authorThomas White <taw@physics.org>2020-08-10 11:24:14 +0200
committerThomas White <taw@physics.org>2020-08-10 11:24:14 +0200
commitd15688677a6deb8898d88165f386ad828f134aa0 (patch)
tree87834f18b3eb1c121e63d6bdc6c7b1903c363ca0 /libcrystfel
parentd48aeb2b1eaad5724957f4c504c4cfc9186c064f (diff)
Start on converting pinkIndexer to DataTemplate
Diffstat (limited to 'libcrystfel')
-rw-r--r--libcrystfel/src/indexers/pinkindexer.c46
1 files changed, 36 insertions, 10 deletions
diff --git a/libcrystfel/src/indexers/pinkindexer.c b/libcrystfel/src/indexers/pinkindexer.c
index 6bf9bde7..3d23e158 100644
--- a/libcrystfel/src/indexers/pinkindexer.c
+++ b/libcrystfel/src/indexers/pinkindexer.c
@@ -185,22 +185,44 @@ int run_pinkIndexer(struct image *image, void *ipriv)
return indexed;
}
+
+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,
const DataTemplate *dtempl)
{
- if ( beam->photon_energy_from != NULL && pinkIndexer_opts->customPhotonEnergy <= 0) {
- ERROR("For pinkIndexer, the photon_energy must be defined as a "
- "constant in the geometry file or as a parameter (see --pinkIndexer-override-photon-energy)\n");
+ if ( !data_template_has_fixed_wavelength(dtempl)
+ && (pinkIndexer_opts->customPhotonEnergy <= 0.0) )
+ {
+ ERROR("Geometry file refers to image metadata for "
+ "wavelength.\n");
+ ERROR("To use PinkIndexer, specify a constant "
+ "wavelength in the geometry file, or use "
+ "--pinkIndexer-override-photon-energy.\n");
return NULL;
}
- 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 ( !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("Pink indexer needs a unit cell file to be specified!");
+
+ if ( cell == NULL ) {
+ ERROR("Unit cell information is required for "
+ "PinkIndexer.\n");
return NULL;
}
@@ -231,12 +253,14 @@ void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell,
.cx = csz * 1e-10, .cy = csx * 1e-10, .cz = csy * 1e-10 };
float detectorDistance_m;
- if ( det->panels[0].clen_from != NULL ) {
+ 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 beamEenergy_eV = beam->photon_energy;
float nonMonochromaticity = beam->bandwidth*5;
if(pinkIndexer_opts->customPhotonEnergy > 0){
@@ -256,7 +280,9 @@ void *pinkIndexer_prepare(IndexingMethod *indm, UnitCell *cell,
}
if(beamEenergy_eV > 75000 && nonMonochromaticity < 0.02 && reflectionRadius_1_per_A < 0.0005){
- STATUS("Trying to index electron diffraction? It might be helpful to set a higher reflection radius (see documentation for --pinkIndexer-reflection-radius)")
+ STATUS("Trying to index electron diffraction? It might be "
+ " helpful to set a higher reflection radius "
+ "(see documentation for --pinkIndexer-reflection-radius)");
}
float divergenceAngle_deg = 0.01; //fake