Do not predict reflections beyond the resolution limit in the first place

This is significantly faster than predicting to the edge then applying the resolution cutoff.
With the "new" way of estimating the resolution limit, there's no need to integrate first.

1 files changed, 12 insertions, 32 deletions

diff --git a/libcrystfel/src/integration.c b/libcrystfel/src/integration.c
index 42f96020..4edc0c56 100644
--- a/libcrystfel/src/integration.c
+++ b/libcrystfel/src/integration.c
@@ -1814,27 +1814,6 @@ static void integrate_rings(IntegrationMethod meth,
 }
 
 
-static void apply_resolution_cutoff(Crystal *cr, double res)
-{
-	Reflection *refl;
-	RefListIterator *iter;
-	UnitCell *cell;
-
-	cell = crystal_get_cell(cr);
-
-	for ( refl = first_refl(crystal_get_reflections(cr), &iter);
-	      refl != NULL;
-	      refl = next_refl(refl, iter) )
-	{
-		signed int h, k, l;
-		get_indices(refl, &h, &k, &l);
-		if ( 2.0*resolution(cell, h, k, l) > res ) {
-			set_redundancy(refl, 0);
-		}
-	}
-}
-
-
 void integrate_all_4(struct image *image, IntegrationMethod meth,
                      PartialityModel pmodel, double push_res,
                      double ir_inn, double ir_mid, double ir_out,
@@ -1845,11 +1824,22 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
 	int i;
 	int *masks[image->det->n_panels];
 
+	if ( !(meth & INTEGRATION_RESCUT) ) push_res = +INFINITY;
+
 	/* Predict all reflections */
 	for ( i=0; i<image->n_crystals; i++ ) {
+
 		RefList *list;
-		list = find_intersections(image, image->crystals[i], pmodel);
+		double res;
+
+		res = estimate_resolution(crystal_get_cell(image->crystals[i]),
+		                          image->features);
+		crystal_set_resolution_limit(image->crystals[i], res);
+
+		list = find_intersections_to_res(image, image->crystals[i],
+		                                 pmodel, res+push_res);
 		crystal_set_reflections(image->crystals[i], list);
+
 	}
 
 	for ( i=0; i<image->det->n_panels; i++ ) {
@@ -1858,7 +1848,6 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
 
 	for ( i=0; i<image->n_crystals; i++ ) {
 
-		double res = INFINITY;
 		Crystal *cr = image->crystals[i];
 
 		switch ( meth & INTEGRATION_METHOD_MASK ) {
@@ -1871,8 +1860,6 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
 			                int_diag, idh, idk, idl,
 			                ir_inn, ir_mid, ir_out,
 			                results_pipe, masks);
-			res = estimate_resolution(crystal_get_cell(cr),
-			                          image->features);
 			break;
 
 			case INTEGRATION_PROF2D :
@@ -1880,8 +1867,6 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
 			                 int_diag, idh, idk, idl,
 			                 ir_inn, ir_mid, ir_out,
 			                 results_pipe, masks);
-			res = estimate_resolution(crystal_get_cell(cr),
-			                          image->features);
 			break;
 
 			default :
@@ -1890,11 +1875,6 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
 
 		}
 
-		crystal_set_resolution_limit(cr, res);
-		if ( meth & INTEGRATION_RESCUT ) {
-			apply_resolution_cutoff(cr, res+push_res);
-		}
-
 	}
 
 	for ( i=0; i<image->det->n_panels; i++ ) {