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-rw-r--r--data/diffraction.cl15
1 files changed, 7 insertions, 8 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl
index f6318378..d128446e 100644
--- a/data/diffraction.cl
+++ b/data/diffraction.cl
@@ -33,7 +33,7 @@ const sampler_t sampler_c = CLK_NORMALIZED_COORDS_TRUE
float4 get_q(float fs, float ss, float res, float clen, float k,
- float *ttp, float corner_x, float corner_y,
+ float corner_x, float corner_y,
float fsx, float fsy, float ssx, float ssy)
{
float rx, ry, r;
@@ -51,7 +51,6 @@ float4 get_q(float fs, float ss, float res, float clen, float k,
r = sqrt(pow(rx, 2.0f) + pow(ry, 2.0f));
tt = atan2(r, clen);
- *ttp = tt;
az = atan2(ry, rx);
@@ -211,7 +210,7 @@ float molecule_factor(global float *intensities, global float *flags,
}
-kernel void diffraction(global float *diff, global float *ttp, float k,
+kernel void diffraction(global float *diff, float k,
int w, float corner_x, float corner_y,
float res, float clen, float16 cell,
global float *intensities,
@@ -219,7 +218,8 @@ kernel void diffraction(global float *diff, global float *ttp, float k,
read_only image2d_t func_b,
read_only image2d_t func_c,
global float *flags,
- float fsx, float fsy, float ssx, float ssy)
+ float fsx, float fsy, float ssx, float ssy,
+ float xo, float yo)
{
float tt;
float fs, ss;
@@ -230,11 +230,11 @@ kernel void diffraction(global float *diff, global float *ttp, float k,
int idx;
/* Calculate fractional coordinates in fs/ss */
- fs = convert_float(get_global_id(0));
- ss = convert_float(get_global_id(1));
+ fs = convert_float(get_global_id(0)) + xo;
+ ss = convert_float(get_global_id(1)) + yo;
/* Get the scattering vector */
- q = get_q(fs, ss, res, clen, k, &tt,
+ q = get_q(fs, ss, res, clen, k,
corner_x, corner_y, fsx, fsy, ssx, ssy);
/* Calculate the diffraction */
@@ -245,5 +245,4 @@ kernel void diffraction(global float *diff, global float *ttp, float k,
/* Write the value to memory */
idx = convert_int_rtz(fs) + w*convert_int_rtz(ss);
diff[idx] = I_molecule * I_lattice;
- ttp[idx] = tt;
}