diff options
Diffstat (limited to 'data')
| -rw-r--r-- | data/diffraction.cl | 21 |
1 files changed, 10 insertions, 11 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl index a42cfc93..fe0604d8 100644 --- a/data/diffraction.cl +++ b/data/diffraction.cl @@ -101,7 +101,7 @@ float lattice_factor(float16 cell, float4 q, } -float2 get_sfac(global float2 *sfacs, float16 cell, float4 q) +float get_intensity(global float *intensities, float16 cell, float4 q) { float hf, kf, lf; int h, k, l; @@ -117,25 +117,25 @@ float2 get_sfac(global float2 *sfacs, float16 cell, float4 q) /* Return a silly value if indices are out of range */ if ( (abs(h) > INDMAX) || (abs(k) > INDMAX) || (abs(l) > INDMAX) ) { - return (float2)(100000.0, 0.0); + return 1000000.0; } h = (h>=0) ? h : h+IDIM; k = (k>=0) ? k : k+IDIM; l = (l>=0) ? l : l+IDIM; - if ( (h>=IDIM) || (k>=IDIM) || (l>=IDIM) ) return (float2)(100000.0, 0.0); + if ( (h>=IDIM) || (k>=IDIM) || (l>=IDIM) ) return 1000000.0; idx = h + (IDIM*k) + (IDIM*IDIM*l); - return sfacs[idx]; + return intensities[idx]; } 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, + global float *intensities, float4 z, int xmin, int ymin, int sampling, local float *tmp, float kstep, read_only image2d_t func_a, @@ -145,8 +145,8 @@ kernel void diffraction(global float *diff, global float *tt, float klow, float ttv; const int x = get_global_id(0) + (xmin*sampling); const int y = get_global_id(1) + (ymin*sampling); - float f_lattice; - float2 f_molecule; + float f_lattice, I_lattice; + float I_molecule; float4 q; const int lx = get_local_id(0); const int ly = get_local_id(1); @@ -155,16 +155,15 @@ kernel void diffraction(global float *diff, global float *tt, float klow, 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); f_lattice = lattice_factor(cell, q, func_a, func_b, func_c); - f_molecule = get_sfac(sfacs, cell, q); + I_molecule = get_intensity(intensities, cell, q); + I_lattice = pow(f_lattice, 2.0f); /* Write the value to local memory */ - val = f_molecule * f_lattice; - intensity = pow(val.x, 2.0f) + pow(val.y, 2.0f); + intensity = I_molecule * I_lattice; tmp[lx+sampling*ly+sampling*sampling*lb] = intensity; /* Memory fence */ |