diff options
Diffstat (limited to 'tests/pr_gradient_check.c')
| -rw-r--r-- | tests/pr_gradient_check.c | 27 |
1 files changed, 14 insertions, 13 deletions
diff --git a/tests/pr_gradient_check.c b/tests/pr_gradient_check.c index 617de4df..12bb3290 100644 --- a/tests/pr_gradient_check.c +++ b/tests/pr_gradient_check.c @@ -26,7 +26,7 @@ static void scan_partialities(RefList *reflections, RefList *compare, - int *valid, double *vals[3], int idx) + int *valid, long double *vals[3], int idx) { int i; Reflection *refl; @@ -101,7 +101,7 @@ static UnitCell *new_shifted_cell(UnitCell *input, int k, double shift) static void calc_either_side(struct image *image, double incr_val, - int *valid, double *vals[3], int refine) + int *valid, long double *vals[3], int refine) { RefList *compare; UnitCell *cell; @@ -123,7 +123,7 @@ static int test_gradients(struct image *image, double incr_val, int refine, { Reflection *refl; RefListIterator *iter; - double *vals[3]; + long double *vals[3]; int i; int *valid; int nref; @@ -137,9 +137,9 @@ static int test_gradients(struct image *image, double incr_val, int refine, return -1; } - vals[0] = malloc(nref*sizeof(double)); - vals[1] = malloc(nref*sizeof(double)); - vals[2] = malloc(nref*sizeof(double)); + vals[0] = malloc(nref*sizeof(long double)); + vals[1] = malloc(nref*sizeof(long double)); + vals[2] = malloc(nref*sizeof(long double)); if ( (vals[0] == NULL) || (vals[1] == NULL) || (vals[2] == NULL) ) { ERROR("Couldn't allocate memory.\n"); return -1; @@ -164,7 +164,7 @@ static int test_gradients(struct image *image, double incr_val, int refine, refl = next_refl(refl, iter) ) { - double grad1, grad2, grad; + long double grad1, grad2, grad; double cgrad; signed int h, k, l; @@ -182,15 +182,16 @@ static int test_gradients(struct image *image, double incr_val, int refine, image->profile_radius); if ( !within_tolerance(grad, cgrad, 10.0) ) { - STATUS("!- %s %5.2f %5.2f %5.2f" - " -> %10.2e %10.2e -> %10.2e %10.2e\n", - str, vals[0][i], vals[1][i], vals[2][i], + STATUS("!- %s %3i %3i %3i %5.2Lf %5.2Lf %5.2Lf" + " -> %10.2Le %10.2Le" + " -> %10.2Le %10.2e\n", str, h, k, l, + vals[0][i], vals[1][i], vals[2][i], grad1, grad2, grad, cgrad); } else { //STATUS("OK %s %5.2f %5.2f %5.2f" - // " -> %10.2e %10.2e" - // " -> %10.2e %10.2e\n", - // str, vals[0][i], vals[1][i], vals[2][i], + // " -> %10.2Le %10.2Le" + // " -> %10.2Le %10.2e\n", str, + // vals[0][i], vals[1][i], vals[2][i], // grad1, grad2, grad, cgrad); n_acc++; } |