diff options
Diffstat (limited to 'src/diffraction.c')
| -rw-r--r-- | src/diffraction.c | 62 |
1 files changed, 37 insertions, 25 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index 5a936809..93674f52 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -361,31 +361,30 @@ static double molecule_factor(const double *intensities, const double *phases, } - -static void diffraction_at_k(struct image *image, const double *intensities, - const double *phases, const unsigned char *flags, - UnitCell *cell, GradientMethod m, - const SymOpList *sym, double k, - double ax, double ay, double az, - double bx, double by, double bz, - double cx, double cy, double cz, - double *lut_a, double *lut_b, double *lut_c, - double weight) +static void diffraction_panel(struct image *image, const double *intensities, + const double *phases, const unsigned char *flags, + UnitCell *cell, GradientMethod m, + const SymOpList *sym, double k, + double ax, double ay, double az, + double bx, double by, double bz, + double cx, double cy, double cz, + double *lut_a, double *lut_b, double *lut_c, + int pn, double weight) { - unsigned int fs, ss; + int fs, ss; const int nxs = 4; const int nys = 4; + struct panel *p = &image->det->panels[pn]; weight /= nxs*nys; - for ( fs=0; fs<image->width; fs++ ) { - for ( ss=0; ss<image->height; ss++ ) { + for ( ss=0; ss<p->h; ss++ ) { + for ( fs=0; fs<p->w; fs++ ) { int idx; double f_lattice, I_lattice; double I_molecule; struct rvec q; - double twotheta; int xs, ys; float xo, yo; @@ -395,7 +394,7 @@ static void diffraction_at_k(struct image *image, const double *intensities, xo = (1.0/nxs) * xs; yo = (1.0/nys) * ys; - q = get_q(image, fs+xo, ss+yo, &twotheta, k); + q = get_q_for_panel(p, fs+xo, ss+yo, NULL, k); f_lattice = lattice_factor(q, ax, ay, az, bx, by, bz, @@ -411,14 +410,33 @@ static void diffraction_at_k(struct image *image, const double *intensities, I_lattice = pow(f_lattice, 2.0); - idx = fs + image->width*ss; - image->data[idx] += I_lattice * I_molecule * weight; - image->twotheta[idx] = twotheta; + idx = fs + p->w*ss; + image->dp[pn][idx] += I_lattice * I_molecule * weight; } } } - progress_bar(fs, image->width-1, "Calculating diffraction"); + progress_bar(ss, p->h-1, "Calculating diffraction"); + } +} + + +static void diffraction_at_k(struct image *image, const double *intensities, + const double *phases, const unsigned char *flags, + UnitCell *cell, GradientMethod m, + const SymOpList *sym, double k, + double ax, double ay, double az, + double bx, double by, double bz, + double cx, double cy, double cz, + double *lut_a, double *lut_b, double *lut_c, + double weight) +{ + int i; + + for ( i=0; i<image->det->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); } } @@ -710,12 +728,6 @@ void get_diffraction(struct image *image, int na, int nb, int nc, cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); - /* Allocate (and zero) the "diffraction array" */ - image->data = calloc(image->width * image->height, sizeof(float)); - - /* Needed later for Lorentz calculation */ - image->twotheta = malloc(image->width * image->height * sizeof(double)); - lut_a = get_sinc_lut(na, no_fringes); lut_b = get_sinc_lut(nb, no_fringes); lut_c = get_sinc_lut(nc, no_fringes); |