diff options
| author | Thomas White <taw@physics.org> | 2020-08-04 17:56:07 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2020-08-04 17:56:07 +0200 |
| commit | ee5e7f49c4c582651d1c3760f204ac861864c9d5 (patch) | |
| tree | 4afd939ebe2a739fd02b183a68803086d655a958 /src/diffraction.c | |
| parent | f9d454ae2a5c2c3ac2d7fc7161a1f02fc87da612 (diff) | |
Convert pattern_sim to DataTemplate
Diffstat (limited to 'src/diffraction.c')
| -rw-r--r-- | src/diffraction.c | 13 |
1 files changed, 9 insertions, 4 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index 8762b0af..4f17a27d 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -376,7 +376,7 @@ static void diffraction_panel(struct image *image, const double *intensities, int fs, ss; const int nxs = 4; const int nys = 4; - struct panel *p = &image->det->panels[pn]; + struct detgeom_panel *p = &image->detgeom->panels[pn]; weight /= nxs*nys; @@ -386,17 +386,22 @@ static void diffraction_panel(struct image *image, const double *intensities, int idx; double f_lattice, I_lattice; double I_molecule; - struct rvec q; int xs, ys; float xo, yo; for ( xs=0; xs<nxs; xs++ ) { for ( ys=0; ys<nys; ys++ ) { + double qv[3]; + struct rvec q; + xo = (1.0/nxs) * xs; yo = (1.0/nys) * ys; - q = get_q_for_panel(p, fs+xo, ss+yo, NULL, k); + detgeom_transform_coords(p, fs+xo, ss+yo, + image->lambda, qv); + + q.u = qv[0]; q.v = qv[1]; q.w = qv[2]; f_lattice = lattice_factor(q, ax, ay, az, bx, by, bz, @@ -435,7 +440,7 @@ static void diffraction_at_k(struct image *image, const double *intensities, { int i; - for ( i=0; i<image->det->n_panels; i++ ) { + for ( i=0; i<image->detgeom->n_panels; i++ ) { diffraction_panel(image, intensities, phases, flags, cell, m, sym, k, ax, ay, az, bx, by, bz, cx, cy, cz, lut_a, lut_b, lut_c, i, weight); |