diff options
Diffstat (limited to 'tests/pr_gradient_check.c')
| -rw-r--r-- | tests/pr_gradient_check.c | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/tests/pr_gradient_check.c b/tests/pr_gradient_check.c index 36fe19ca..1dce7311 100644 --- a/tests/pr_gradient_check.c +++ b/tests/pr_gradient_check.c @@ -128,6 +128,7 @@ static int test_gradients(struct image *image, double incr_val, int refine, int *valid; int nref; int n_acc, n_valid; + FILE *fh; image->reflections = find_intersections(image, image->indexed_cell); @@ -157,6 +158,8 @@ static int test_gradients(struct image *image, double incr_val, int refine, calc_either_side(image, incr_val, valid, vals, refine); + fh = fopen("wrongness.dat", "w+"); + n_valid = nref; n_acc = 0; i = 0; for ( refl = first_refl(image->reflections, &iter); @@ -176,6 +179,10 @@ static int test_gradients(struct image *image, double incr_val, int refine, double r1, r2, p; int cl, ch; + double tt, dstar; + + dstar = 2.0 * resolution(image->indexed_cell, h, k, l), + tt = 2.0*asin(image->lambda/(2.0/dstar)); grad1 = (vals[1][i] - vals[0][i]) / incr_val; grad2 = (vals[2][i] - vals[1][i]) / incr_val; @@ -203,6 +210,10 @@ static int test_gradients(struct image *image, double incr_val, int refine, n_acc++; } + fprintf(fh, "%e %f\n", + //resolution(image->indexed_cell, h, k, l), + rad2deg(tt), fabs((grad-cgrad)/grad)); + } i++; @@ -211,6 +222,7 @@ static int test_gradients(struct image *image, double incr_val, int refine, STATUS("%s: %i out of %i valid gradients were accurate.\n", str, n_acc, n_valid); + fclose(fh); if ( n_acc != n_valid ) return 1; |