diff options
Diffstat (limited to 'tests/pr_pl_gradient_check.c')
| -rw-r--r-- | tests/pr_pl_gradient_check.c | 15 |
1 files changed, 8 insertions, 7 deletions
diff --git a/tests/pr_pl_gradient_check.c b/tests/pr_pl_gradient_check.c index ddbc1840..f83af335 100644 --- a/tests/pr_pl_gradient_check.c +++ b/tests/pr_pl_gradient_check.c @@ -175,7 +175,8 @@ static Crystal *new_shifted_crystal(Crystal *cr, int refine, double incr_val) } static void calc_either_side(Crystal *cr, double incr_val, - int *valid, long double *vals[3], int refine) + int *valid, long double *vals[3], int refine, + PartialityModel pmodel) { RefList *compare; struct image *image = crystal_get_image(cr); @@ -186,7 +187,7 @@ 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); + compare = find_intersections(image, cr_new, pmodel); scan_partialities(crystal_get_reflections(cr), compare, valid, vals, 0); cell_free(crystal_get_cell(cr_new)); @@ -194,7 +195,7 @@ 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); + compare = find_intersections(image, cr_new, pmodel); scan_partialities(crystal_get_reflections(cr), compare, valid, vals, 2); cell_free(crystal_get_cell(cr_new)); @@ -208,14 +209,14 @@ static void calc_either_side(Crystal *cr, double incr_val, /* "Image" properties */ im_moved = *image; shift_parameter(&im_moved, refine, -incr_val); - compare = find_intersections(&im_moved, cr); + compare = find_intersections(&im_moved, cr, pmodel); scan_partialities(crystal_get_reflections(cr), compare, valid, vals, 0); reflist_free(compare); im_moved = *image; shift_parameter(&im_moved, refine, +incr_val); - compare = find_intersections(&im_moved, cr); + compare = find_intersections(&im_moved, cr, pmodel); scan_partialities(crystal_get_reflections(cr), compare, valid, vals, 2); reflist_free(compare); @@ -246,7 +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); + reflections = find_intersections(crystal_get_image(cr), cr, pmodel); crystal_set_reflections(cr, reflections); nref = num_reflections(reflections); @@ -272,7 +273,7 @@ static double test_gradients(Crystal *cr, double incr_val, int refine, scan_partialities(reflections, reflections, valid, vals, 1); - calc_either_side(cr, incr_val, valid, vals, refine); + calc_either_side(cr, incr_val, valid, vals, refine, pmodel); if ( plot ) { snprintf(tmp, 32, "gradient-test-%s.dat", file); |