diff options
Diffstat (limited to 'tests/pr_p_gradient_check.c')
| -rw-r--r-- | tests/pr_p_gradient_check.c | 20 |
1 files changed, 15 insertions, 5 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); |