Separate partiality calculation from prediction

3 files changed, 21 insertions, 12 deletions

diff --git a/tests/pr_p_gradient_check.c b/tests/pr_p_gradient_check.c
index 9c2a6633..5322fcca 100644
--- a/tests/pr_p_gradient_check.c
+++ b/tests/pr_p_gradient_check.c
@@ -178,7 +178,9 @@ static void calc_either_side(Crystal *cr, double incr_val,
 
 		/* Crystal properties */
 		cr_new = new_shifted_crystal(cr, refine, -incr_val);
-		compare = find_intersections(image, cr_new, pmodel);
+		compare = predict_to_res(cr_new, largest_q(image));
+		crystal_set_reflections(cr_new, compare);
+		calculate_partialities(cr_new, pmodel);
 		scan_partialities(crystal_get_reflections(cr), compare, valid,
 		                  vals, 0, pmodel);
 		cell_free(crystal_get_cell(cr_new));
@@ -186,7 +188,9 @@ static void calc_either_side(Crystal *cr, double incr_val,
 		reflist_free(compare);
 
 		cr_new = new_shifted_crystal(cr, refine, +incr_val);
-		compare = find_intersections(image, cr_new, pmodel);
+		compare = predict_to_res(cr_new, largest_q(image));
+		crystal_set_reflections(cr_new, compare);
+		calculate_partialities(cr_new, pmodel);
 		scan_partialities(crystal_get_reflections(cr), compare, valid,
 		                  vals, 2, pmodel);
 		cell_free(crystal_get_cell(cr_new));
@@ -196,18 +200,24 @@ static void calc_either_side(Crystal *cr, double incr_val,
 	} else {
 
 		struct image im_moved;
+		Crystal *cr_new = crystal_copy(cr);
+		crystal_set_image(cr_new, &im_moved);
 
 		/* "Image" properties */
 		im_moved = *image;
 		shift_parameter(&im_moved, refine, -incr_val);
-		compare = find_intersections(&im_moved, cr, pmodel);
+		compare = predict_to_res(cr_new, largest_q(&im_moved));
+		crystal_set_reflections(cr_new, compare);
+		calculate_partialities(cr_new, pmodel);
 		scan_partialities(crystal_get_reflections(cr), compare,
 		                  valid, vals, 0, pmodel);
 		reflist_free(compare);
 
 		im_moved = *image;
 		shift_parameter(&im_moved, refine, +incr_val);
-		compare = find_intersections(&im_moved, cr, pmodel);
+		compare = predict_to_res(cr_new, largest_q(&im_moved));
+		crystal_set_reflections(cr_new, compare);
+		calculate_partialities(cr_new, pmodel);
 		scan_partialities(crystal_get_reflections(cr), compare,
 		                  valid, vals, 2, pmodel);
 		reflist_free(compare);
@@ -237,7 +247,7 @@ static double test_gradients(Crystal *cr, double incr_val, int refine,
 	int n_line;
 	double cc;
 
-	reflections = find_intersections(crystal_get_image(cr), cr, pmodel);
+	reflections = predict_to_res(cr, largest_q(crystal_get_image(cr)));
 	crystal_set_reflections(cr, reflections);
 
 	nref = num_reflections(reflections);
diff --git a/tests/prediction_gradient_check.c b/tests/prediction_gradient_check.c
index b9f23217..0ffc07ca 100644
--- a/tests/prediction_gradient_check.c
+++ b/tests/prediction_gradient_check.c
@@ -185,14 +185,14 @@ static void calc_either_side(Crystal *cr, double incr_val,
 	Crystal *cr_new;
 
 	cr_new = new_shifted_crystal(cr, refine, -incr_val);
-	compare = find_intersections(image, cr_new, PMODEL_SCSPHERE);
+	compare = predict_to_res(cr_new, largest_q(image));
 	scan(crystal_get_reflections(cr), compare, valid, vals, 0);
 	cell_free(crystal_get_cell(cr_new));
 	crystal_free(cr_new);
 	reflist_free(compare);
 
 	cr_new = new_shifted_crystal(cr, refine, +incr_val);
-	compare = find_intersections(image, cr_new, PMODEL_SCSPHERE);
+	compare = predict_to_res(cr_new, largest_q(image));
 	scan(crystal_get_reflections(cr), compare, valid, vals, 2);
 	cell_free(crystal_get_cell(cr_new));
 	crystal_free(cr_new);
@@ -221,8 +221,7 @@ static double test_gradients(Crystal *cr, double incr_val, int refine,
 	int n_line;
 	double cc;
 
-	reflections = find_intersections(crystal_get_image(cr), cr,
-	                                 PMODEL_SCSPHERE);
+	reflections = predict_to_res(cr, largest_q(crystal_get_image(cr)));
 	crystal_set_reflections(cr, reflections);
 
 	nref = num_reflections(reflections);
diff --git a/tests/prof2d_check.c b/tests/prof2d_check.c
index 9fe8b356..8b9de871 100644
--- a/tests/prof2d_check.c
+++ b/tests/prof2d_check.c
@@ -3,11 +3,11 @@
  *
  * Check 2D profile fitting
  *
- * Copyright © 2013-2014 Deutsches Elektronen-Synchrotron DESY,
+ * Copyright © 2013-2016 Deutsches Elektronen-Synchrotron DESY,
  *                       a research centre of the Helmholtz Association.
  *
  * Authors:
- *   2013-2014 Thomas White <taw@physics.org>
+ *   2013-2014,2016 Thomas White <taw@physics.org>
  *
  * This file is part of CrystFEL.
  *
@@ -135,7 +135,7 @@ int main(int argc, char *argv[])
 	image.n_crystals = 1;
 	image.crystals = &cr;
 
-	list = find_intersections(&image, cr, PMODEL_SCSPHERE);
+	list = predict_to_res(cr, largest_q(&image));
 	crystal_set_reflections(cr, list);
 
 	for ( fs=0; fs<w; fs++ ) {