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| author | Thomas White <taw@physics.org> | 2011-05-10 16:58:40 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:26 +0100 |
| commit | 39854387bd8fcf4f5a8c89ccb39a6a0f0171985a (patch) | |
| tree | 6d50f41692773fe88233b98d232f4b7ac794f232 | |
| parent | f0fa4f72b89eacc72b40eb7ecfa244d1dce6582a (diff) | |
Correct gradients for y components
Problems with zeroes in normal matrix
| -rw-r--r-- | src/post-refinement.c | 19 |
1 files changed, 10 insertions, 9 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 087cca67..27ce6605 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -37,10 +37,10 @@ enum { REF_ASX, REF_BSX, REF_CSX, - NUM_PARAMS, REF_ASY, REF_BSY, REF_CSY, + NUM_PARAMS, REF_ASZ, REF_BSZ, REF_CSZ, @@ -89,7 +89,7 @@ static double partiality_rgradient(double r, double profile_radius) /* Return the gradient of parameter 'k' given the current status of 'image'. */ static double gradient(struct image *image, int k, Reflection *refl, double r) { - double ds, tt, azi; + double ds, tt, azix, aziy; double nom, den; double g; double asx, asy, asz; @@ -112,7 +112,8 @@ static double gradient(struct image *image, int k, Reflection *refl, double r) 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); + azix = angle_between(1.0, 0.0, 0.0, xl, yl, 0.0); + aziy = angle_between(0.0, 1.0, 0.0, xl, yl, 0.0); //STATUS("d*=%.2e, 2theta=%.2f deg, azi=%.2f deg\n", // ds, rad2deg(tt), rad2deg(azi)); @@ -151,17 +152,17 @@ static double gradient(struct image *image, int k, Reflection *refl, double r) /* Cell parameters and orientation */ case REF_ASX : - return hs * sin(tt) * cos(azi) * g; + return hs * sin(tt) * cos(azix) * g; case REF_BSX : - return ks * sin(tt) * cos(azi) * g; + return ks * sin(tt) * cos(azix) * g; case REF_CSX : - return ls * sin(tt) * cos(azi) * g; + return ls * sin(tt) * cos(azix) * g; case REF_ASY : - return hs * sin(tt) * sin(azi) * g; + return hs * sin(tt) * cos(aziy) * g; case REF_BSY : - return ks * sin(tt) * sin(azi) * g; + return ks * sin(tt) * cos(aziy) * g; case REF_CSY : - return ls * sin(tt) * sin(azi) * g; + return ls * sin(tt) * cos(aziy) * g; case REF_ASZ : return hs * cos(tt) * g; case REF_BSZ : |