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authorThomas White <taw@physics.org>2010-03-26 16:23:21 +0100
committerThomas White <taw@physics.org>2010-03-26 16:23:21 +0100
commit6a2ebece241fd5d1a82787b446d8eb7b273ae97e (patch)
tree4e60ef94a90351bbf2439b29fbc3284b8176e9a4 /src/diffraction-gpu.c
parent6a9811f69425e47b061f4987970681dbbf27a2bd (diff)
Don't try to render PDBs, part II: remove "molecule" from "struct image".
Diffstat (limited to 'src/diffraction-gpu.c')
-rw-r--r--src/diffraction-gpu.c6
1 files changed, 2 insertions, 4 deletions
diff --git a/src/diffraction-gpu.c b/src/diffraction-gpu.c
index cc7b9e5b..741f7b69 100644
--- a/src/diffraction-gpu.c
+++ b/src/diffraction-gpu.c
@@ -107,7 +107,7 @@ static void check_sinc_lut(struct gpu_context *gctx, int n)
void get_diffraction_gpu(struct gpu_context *gctx, struct image *image,
- int na, int nb, int nc, int no_sfac)
+ int na, int nb, int nc, UnitCell *ucell)
{
cl_int err;
double ax, ay, az;
@@ -130,9 +130,7 @@ void get_diffraction_gpu(struct gpu_context *gctx, struct image *image,
return;
}
- cell_get_cartesian(image->molecule->cell, &ax, &ay, &az,
- &bx, &by, &bz,
- &cx, &cy, &cz);
+ cell_get_cartesian(ucell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz);
cell[0] = ax; cell[1] = ay; cell[2] = az;
cell[3] = bx; cell[4] = by; cell[5] = bz;
cell[6] = cx; cell[7] = cy; cell[8] = cz;