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authorThomas White <taw@physics.org>2010-02-26 16:47:27 +0100
committerThomas White <taw@physics.org>2010-02-26 16:54:59 +0100
commit7d8662ffe897dc2438141ecc8848863bad9b9d92 (patch)
tree46af84456de347220cfcb363c3b4e4ef70362f40 /data
parent86dd71e8640394f4e4f5aa71b2e5f51f5fea4a11 (diff)
Move water calculation to diffraction.c, and work out the consequences
Diffstat (limited to 'data')
-rw-r--r--data/diffraction.cl16
1 files changed, 11 insertions, 5 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl
index d3fef375..a401cdfa 100644
--- a/data/diffraction.cl
+++ b/data/diffraction.cl
@@ -130,11 +130,11 @@ float2 get_sfac(global float2 *sfacs, float16 cell, float4 q)
}
-kernel void diffraction(global float2 *diff, global float *tt, float klow,
+kernel void diffraction(global float *diff, global float *tt, float klow,
int w, float cx, float cy,
float res, float clen, float16 cell,
global float2 *sfacs, float4 z, int4 ncells,
- int xmin, int ymin, int sampling, local float2 *tmp,
+ int xmin, int ymin, int sampling, local float *tmp,
float kstep)
{
float ttv;
@@ -149,6 +149,8 @@ kernel void diffraction(global float2 *diff, global float *tt, float klow,
float k = klow + kstep * get_local_id(2);
const int ax = x / sampling;
const int ay = y / sampling;
+ float intensity;
+ float2 val;
/* Calculate value */
q = get_q(x, y, cx, cy, res, clen, k, &ttv, z, sampling);
@@ -156,7 +158,9 @@ kernel void diffraction(global float2 *diff, global float *tt, float klow,
f_molecule = get_sfac(sfacs, cell, q);
/* Write the value to local memory */
- tmp[lx+sampling*ly+sampling*sampling*lb] = f_molecule * f_lattice;
+ val = f_molecule * f_lattice;
+ intensity = pow(val.x, 2.0f) + pow(val.y, 2.0f);
+ tmp[lx+sampling*ly+sampling*sampling*lb] = intensity;
/* Memory fence */
barrier(CLK_LOCAL_MEM_FENCE);
@@ -165,12 +169,14 @@ kernel void diffraction(global float2 *diff, global float *tt, float klow,
if ( lx + ly + lb == 0 ) {
int i;
- float2 sum = (float2)(0.0, 0.0);
+ float sum = 0.0;
+ float val;
for ( i=0; i<sampling*sampling*get_local_size(2); i++ )
sum += tmp[i];
- diff[ax+w*ay] = sum / (float)(sampling*sampling*get_local_size(2));
+ val = sum / (float)(sampling*sampling*get_local_size(2));
+ diff[ax+w*ay] = val;
/* Leader thread also records the 2theta value.
* This should really be averaged across all pixels, but