diff options
Diffstat (limited to 'src/diffraction.c')
| -rw-r--r-- | src/diffraction.c | 8 |
1 files changed, 3 insertions, 5 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index 9a35d565..2284909b 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -31,9 +31,6 @@ static double lattice_factor(struct threevec q, double ax, double ay, double az, { struct threevec Udotq; double f1, f2, f3; - int na = 4; - int nb = 4; - int nc = 30; Udotq.u = ax*q.u + ay*q.v + az*q.w; Udotq.v = bx*q.u + by*q.v + bz*q.w; @@ -136,7 +133,7 @@ double water_intensity(struct threevec q, double en, } -void get_diffraction(struct image *image) +void get_diffraction(struct image *image, int na, int nb, int nc) { int x, y; double ax, ay, az; @@ -172,7 +169,8 @@ void get_diffraction(struct image *image) q = image->qvecs[x + image->width*y]; - f_lattice = lattice_factor(q, ax,ay,az,bx,by,bz,cx,cy,cz); + f_lattice = lattice_factor(q, ax,ay,az,bx,by,bz,cx,cy,cz, + na, nb, nc); f_molecule = molecule_factor(image->molecule, q, ax,ay,az,bx,by,bz,cx,cy,cz); |