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authorThomas White <taw@physics.org>2020-08-17 16:03:44 +0200
committerThomas White <taw@physics.org>2020-08-17 16:03:44 +0200
commit73490048c848278397672f9e97cf1d1c085a0e8a (patch)
treee2c2c097bcdfbcefe3c19507348a11d83e2e2407
parent25ddd11719fa9ad0ce53e10a25b8e314e6b54fae (diff)
Initial implementation of run_indexing_once()
-rw-r--r--src/gui_index.c54
1 files changed, 54 insertions, 0 deletions
diff --git a/src/gui_index.c b/src/gui_index.c
index edc54a3b..f35fa46b 100644
--- a/src/gui_index.c
+++ b/src/gui_index.c
@@ -41,6 +41,9 @@
#include <datatemplate.h>
#include <peaks.h>
+#include <cell.h>
+#include <cell-utils.h>
+#include <integration.h>
#include "crystfel_gui.h"
#include "crystfelimageview.h"
@@ -185,8 +188,59 @@ static void get_indexing_opts(struct crystfelproject *proj,
}
+static IndexingFlags indexing_flags(struct index_params *params)
+{
+ IndexingFlags fl = 0;
+
+ if ( !params->no_retry ) fl |= INDEXING_RETRY;
+ if ( params->multi ) fl |= INDEXING_MULTI;
+ if ( !params->no_refine ) fl |= INDEXING_REFINE;
+ if ( !params->no_peak_check ) fl |= INDEXING_CHECK_PEAKS;
+ if ( !params->no_cell_check ) fl |= INDEXING_CHECK_CELL;
+
+ return fl;
+}
+
+
static void run_indexing_once(struct crystfelproject *proj)
{
+ IndexingPrivate *ipriv;
+ UnitCell *cell;
+ IntegrationMethod int_method;
+ int i;
+ int err;
+
+ if ( proj->indexing_params.cell_file != NULL ) {
+ cell = load_cell_from_file(proj->indexing_params.cell_file);
+ } else {
+ cell = NULL;
+ }
+
+ ipriv = setup_indexing(proj->indexing_params.indexing_methods,
+ cell,
+ proj->dtempl,
+ proj->indexing_params.tols,
+ indexing_flags(&proj->indexing_params),
+ NULL, NULL, NULL, NULL);
+
+ index_pattern(proj->cur_image, ipriv);
+
+ for ( i=0; i<proj->cur_image->n_crystals; i++ ) {
+ crystal_set_profile_radius(proj->cur_image->crystals[i], 0.02e9);
+ crystal_set_mosaicity(proj->cur_image->crystals[i], 0.0);
+ }
+
+ err = 0;
+ int_method = integration_method(proj->indexing_params.integration_method,
+ &err);
+
+ integrate_all_5(proj->cur_image, int_method, PMODEL_XSPHERE,
+ proj->indexing_params.push_res,
+ 3, 4, 5, /* FIXME */
+ INTDIAG_NONE, 0, 0, 0, NULL,
+ proj->indexing_params.overpredict);
+
+ cleanup_indexing(ipriv);
}