diff options
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 41 |
1 files changed, 19 insertions, 22 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index d804dbc2..1fd4d13b 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -95,21 +95,21 @@ static double gradient(struct image *image, int k, Reflection *refl, double r) double bsx, bsy, bsz; double csx, csy, csz; double xl, yl, zl; - signed int hi, ki, li; + signed int hs, ks, ls; double r1, r2, p; int clamp_low, clamp_high; - get_indices(refl, &hi, &ki, &li); + get_symmetric_indices(refl, &hs, &ks, &ls); cell_get_reciprocal(image->indexed_cell, &asx, &asy, &asz, &bsx, &bsy, &bsz, &csx, &csy, &csz); - xl = hi*asx + ki*bsx + li*csx; - yl = hi*asy + ki*bsy + li*csy; - zl = hi*asz + ki*bsz + li*csz; + xl = hs*asx + ks*bsx + ls*csx; + yl = hs*asy + ks*bsy + ls*csy; + zl = hs*asz + ks*bsz + ls*csz; - ds = 2.0 * resolution(image->indexed_cell, hi, ki, li); - tt = angle_between(0.0, 0.0, 1.0, xl, yl, zl+k); + ds = 2.0 * resolution(image->indexed_cell, hs, ks, ls); + tt = angle_between(0.0, 0.0, 1.0, xl, yl, zl+1.0/image->lambda); azi = angle_between(1.0, 0.0, 0.0, xl, yl, 0.0); get_partial(refl, &r1, &r2, &p, &clamp_low, &clamp_high); @@ -142,23 +142,23 @@ static double gradient(struct image *image, int k, Reflection *refl, double r) /* Cell parameters and orientation */ case REF_ASX : - return hi * sin(tt) * cos(azi) * g; + return hs * sin(tt) * cos(azi) * g; case REF_BSX : - return ki * sin(tt) * g; + return ks * sin(tt) * g; case REF_CSX : - return li * sin(tt) * g; + return ls * sin(tt) * g; case REF_ASY : - return hi * sin(tt) * g; + return hs * sin(tt) * g; case REF_BSY : - return ki * sin(tt) * g; + return ks * sin(tt) * g; case REF_CSY : - return li * sin(tt) * g; + return ls * sin(tt) * g; case REF_ASZ : - return hi * cos(tt) * g; + return hs * cos(tt) * g; case REF_BSZ : - return ki * cos(tt) * g; + return ks * cos(tt) * g; case REF_CSZ : - return li * cos(tt) * g; + return ls * cos(tt) * g; } @@ -285,8 +285,7 @@ static double pr_iterate(struct image *image, const RefList *full, /* Calculate all gradients for this reflection */ for ( k=0; k<NUM_PARAMS; k++ ) { double gr; - gr = gradient(image, k, refl, - image->profile_radius); + gr = gradient(image, k, refl, image->profile_radius); gradients[k] = gr; } @@ -403,8 +402,7 @@ static void plot_curve(struct image *image, const RefList *full, ax = origval + (double)i*shval; cell_set_reciprocal(cell, ax, ay, az, bx, by, bz, cx, cy, cz); - update_partialities_and_asymm(image, sym, - NULL, NULL, NULL, NULL); + update_partialities(image, sym, NULL, NULL, NULL, NULL); dev = mean_partial_dev(image, full, sym); STATUS("%i %e %e\n", i, ax, dev); @@ -431,8 +429,7 @@ void pr_refine(struct image *image, const RefList *full, const char *sym) double dev; max_shift = pr_iterate(image, full, sym); - update_partialities_and_asymm(image, sym, - NULL, NULL, NULL, NULL); + update_partialities(image, sym, NULL, NULL, NULL, NULL); dev = mean_partial_dev(image, full, sym); STATUS("PR Iteration %2i: max shift = %5.2f dev = %5.2f\n", |