diff options
| -rw-r--r-- | src/diffraction.c | 22 | ||||
| -rw-r--r-- | src/diffraction.h | 2 | ||||
| -rw-r--r-- | src/indexamajig.c | 1 | ||||
| -rw-r--r-- | src/peaks.c | 2 |
4 files changed, 26 insertions, 1 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index 1960f786..8b245589 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -267,6 +267,28 @@ struct rvec get_q(struct image *image, unsigned int xs, unsigned int ys, } +double get_tt(struct image *image, unsigned int xs, unsigned int ys) +{ + float r; + float rx = 0.0; + float ry = 0.0; + struct panel *p; + + const unsigned int x = xs; + const unsigned int y = ys; /* Integer part only */ + + p = find_panel(&image->det, x, y); + + rx = ((float)xs - p->cx) / p->res; + ry = ((float)ys - p->cy) / p->res; + + /* Calculate q-vector for this sub-pixel */ + r = sqrt(pow(rx, 2.0) + pow(ry, 2.0)); + + return atan2(r, p->clen); +} + + void get_diffraction(struct image *image, int na, int nb, int nc, const double *intensities, const unsigned int *counts, UnitCell *cell, int do_water, GradientMethod m) diff --git a/src/diffraction.h b/src/diffraction.h index 85d06cc2..ed583feb 100644 --- a/src/diffraction.h +++ b/src/diffraction.h @@ -32,4 +32,6 @@ extern void get_diffraction(struct image *image, int na, int nb, int nc, extern struct rvec get_q(struct image *image, unsigned int xs, unsigned int ys, unsigned int sampling, float *ttp, float k); +extern double get_tt(struct image *image, unsigned int xs, unsigned int ys); + #endif /* DIFFRACTION_H */ diff --git a/src/indexamajig.c b/src/indexamajig.c index 50318a1b..3dee0072 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -323,6 +323,7 @@ static void *process_image(void *pargsv) } /* No cell at this point? Then we're done. */ + result->peaks_sane = 0; if ( image.indexed_cell == NULL ) goto done; /* Sanity check */ diff --git a/src/peaks.c b/src/peaks.c index 9d5c305b..22e12949 100644 --- a/src/peaks.c +++ b/src/peaks.c @@ -164,7 +164,7 @@ static void integrate_peak(struct image *image, int xp, int yp, Lsq = pow(p->clen, 2.0); /* Area of pixel as seen from crystal (approximate) */ - get_q(image, x+xp, y+yp, 1, &tt, 1.0 / image->lambda); + tt = get_tt(image, x+xp, y+yp); proj_area = pix_area * cos(tt); /* Calculate distance from crystal to pixel */ |