diff options
| author | Thomas White <taw@physics.org> | 2011-06-06 19:09:40 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:27 +0100 |
| commit | 0427a9f2407af935be590b094ed4c518d7d2dc54 (patch) | |
| tree | 8037ca02d8745cfc34e03f2b399a57411b5325fd /src/diffraction.c | |
| parent | b5cf39959f971132bfbd4d73878f86c026deb96a (diff) | |
Add divergence to CPU version as well
Diffstat (limited to 'src/diffraction.c')
| -rw-r--r-- | src/diffraction.c | 32 |
1 files changed, 29 insertions, 3 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index b55d2265..2b1fdac9 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -355,6 +355,7 @@ void get_diffraction(struct image *image, int na, int nb, int nc, double *lut_a; double *lut_b; double *lut_c; + double divxlow, divylow, divxstep, divystep; cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); @@ -368,6 +369,11 @@ void get_diffraction(struct image *image, int na, int nb, int nc, khigh = 1.0/(image->lambda*(1.0 - image->beam->bandwidth/2.0)); bwstep = (khigh-klow) / BWSAMPLING; + divxlow = -image->beam->divergence/2.0; + divylow = -image->beam->divergence/2.0; + divxstep = image->beam->divergence / DIVSAMPLING; + divystep = image->beam->divergence / DIVSAMPLING; + lut_a = get_sinc_lut(na); lut_b = get_sinc_lut(nb); lut_c = get_sinc_lut(nc); @@ -376,27 +382,44 @@ void get_diffraction(struct image *image, int na, int nb, int nc, for ( ss=0; ss<image->height; ss++ ) { int fs_step, ss_step, kstep; + int divxval, divyval; int idx = fs + image->width*ss; for ( fs_step=0; fs_step<SAMPLING; fs_step++ ) { for ( ss_step=0; ss_step<SAMPLING; ss_step++ ) { for ( kstep=0; kstep<BWSAMPLING; kstep++ ) { + for ( divxval=0; divxval<DIVSAMPLING; divxval++ ) { + for ( divyval=0; divyval<DIVSAMPLING; divyval++ ) { double k; double intensity; double f_lattice, I_lattice; double I_molecule; - struct rvec q; + struct rvec q, qn; double twotheta; const double dfs = (double)fs + ((double)fs_step / SAMPLING); const double dss = (double)ss + ((double)ss_step / SAMPLING); + double xdiv = divxlow + divxstep*(double)divxval; + double ydiv = divylow + divystep*(double)divyval; + /* Calculate k this time round */ k = klow + (double)kstep * bwstep; - q = get_q(image, dfs, dss, &twotheta, k); + qn = get_q(image, dfs, dss, &twotheta, k); + + /* x divergence */ + q.u = qn.u*cos(xdiv) +qn.w*sin(xdiv); + q.v = qn.v; + q.w = -qn.u*sin(xdiv) +qn.w*cos(xdiv); + + qn = q; + + /* y divergence */ + q.v = qn.v*cos(ydiv) +qn.w*sin(ydiv); + q.w = -qn.v*sin(ydiv) +qn.w*cos(ydiv); f_lattice = lattice_factor(q, ax, ay, az, bx, by, bz, @@ -420,8 +443,11 @@ void get_diffraction(struct image *image, int na, int nb, int nc, } } } + } + } - image->data[idx] /= SAMPLING*SAMPLING*BWSAMPLING; + image->data[idx] /= (SAMPLING*SAMPLING*BWSAMPLING + *DIVSAMPLING*DIVSAMPLING); } |