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-rw-r--r--data/diffraction.cl213
-rwxr-xr-xdata/gen-resources20
2 files changed, 0 insertions, 233 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl
deleted file mode 100644
index 6e3b0f69..00000000
--- a/data/diffraction.cl
+++ /dev/null
@@ -1,213 +0,0 @@
-/*
- * diffraction.cl
- *
- * GPU calculation kernel for truncated lattice diffraction
- *
- * Copyright © 2012-2020 Deutsches Elektronen-Synchrotron DESY,
- * a research centre of the Helmholtz Association.
- *
- * Authors:
- * 2009-2014 Thomas White <taw@physics.org>
- * 2013 Alexandra Tolstikova
- *
- * This file is part of CrystFEL.
- *
- * CrystFEL is free software: you can redistribute it and/or modify
- * it under the terms of the GNU General Public License as published by
- * the Free Software Foundation, either version 3 of the License, or
- * (at your option) any later version.
- *
- * CrystFEL is distributed in the hope that it will be useful,
- * but WITHOUT ANY WARRANTY; without even the implied warranty of
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- * GNU General Public License for more details.
- *
- * You should have received a copy of the GNU General Public License
- * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
- *
- */
-
-
-/* Maxmimum index to hold values up to (can be increased if necessary)
- * WARNING: Altering this value constitutes an ABI change, and means you must
- * update src/pattern_sim.h then recompile and reinstall everything. */
-#define INDMAX 130
-#define IDIM (INDMAX*2 +1)
-
-#ifndef M_PI
-#define M_PI ((float)(3.14159265))
-#endif
-
-const sampler_t sampler_a = CLK_NORMALIZED_COORDS_TRUE
- | CLK_ADDRESS_REPEAT
- | CLK_FILTER_LINEAR;
-const sampler_t sampler_b = CLK_NORMALIZED_COORDS_TRUE
- | CLK_ADDRESS_REPEAT
- | CLK_FILTER_LINEAR;
-const sampler_t sampler_c = CLK_NORMALIZED_COORDS_TRUE
- | CLK_ADDRESS_REPEAT
- | CLK_FILTER_LINEAR;
-
-
-float4 get_q(float fs, float ss, float res, float clen, float k,
- float corner_x, float corner_y,
- float fsx, float fsy, float fsz, float ssx, float ssy, float ssz)
-{
- float rx, ry, rz;
- float az, tt;
- float4 q;
- float xs, ys;
- float kx, ky, kz;
- float ctt;
-
- /* Calculate 3D position of given position, in m */
- rx = (corner_x + fs*fsx + ss*ssx) / res;
- ry = (corner_y + fs*fsy + ss*ssy) / res;
- rz = clen + (fs*fsz + ss*ssz)/res;
-
- ctt = rz / sqrt(rx*rx + ry*ry + rz*rz); /* cos(2theta) */
- tt = acos(ctt);
- az = atan2(ry, rx);
-
- kx = k*native_sin(tt)*native_cos(az);
- ky = k*native_sin(tt)*native_sin(az);
- kz = k*(ctt - 1.0);
-
- q = (float4)(kx, ky, kz, 0.0);
-
- return q;
-}
-
-
-float lattice_factor(float16 cell, float4 q,
- read_only image2d_t func_a,
- read_only image2d_t func_b,
- read_only image2d_t func_c)
-{
- float f1, f2, f3, v;
- float4 Udotq;
-
- Udotq.x = cell.s0*q.x + cell.s1*q.y + cell.s2*q.z;
- Udotq.y = cell.s3*q.x + cell.s4*q.y + cell.s5*q.z;
- Udotq.z = cell.s6*q.x + cell.s7*q.y + cell.s8*q.z;
-
- /* Look up values from precalculated sinc() table */
- f1 = read_imagef(func_a, sampler_a, (float2)(Udotq.x, 0.0)).s0;
- f2 = read_imagef(func_b, sampler_b, (float2)(Udotq.y, 0.0)).s0;
- f3 = read_imagef(func_c, sampler_c, (float2)(Udotq.z, 0.0)).s0;
-
- return f1 * f2 * f3;
-}
-
-
-float lookup_intensity(global float *intensities,
- signed int h, signed int k, signed int l)
-{
- int idx;
-
- /* Out of range? */
- if ( (abs(h) > INDMAX) || (abs(k) > INDMAX) || (abs(l) > INDMAX) ) {
- return 0.0;
- }
-
- h = (h>=0) ? h : h+IDIM;
- k = (k>=0) ? k : k+IDIM;
- l = (l>=0) ? l : l+IDIM;
-
- idx = h + (IDIM*k) + (IDIM*IDIM*l);
-
- return intensities[idx];
-}
-
-
-float lookup_flagged_intensity(global float *intensities, global float *flags,
- signed int h, signed int k, signed int l)
-{
- return lookup_intensity(intensities, h, k, l)
- * lookup_intensity(flags, h, k, l);
-}
-
-
-float molecule_factor(global float *intensities, global float *flags,
- float16 cell, float4 q)
-{
- float hf, kf, lf;
- int h, k, l;
- float val = 0.0;
-
- #ifdef FLAT_INTENSITIES
- return 100.0;
- #else
-
- hf = cell.s0*q.x + cell.s1*q.y + cell.s2*q.z; /* h */
- kf = cell.s3*q.x + cell.s4*q.y + cell.s5*q.z; /* k */
- lf = cell.s6*q.x + cell.s7*q.y + cell.s8*q.z; /* l */
-
- h = round(hf);
- k = round(kf);
- l = round(lf);
-
- /* Symmetry stuff goes here */
- INSERT_HERE
-
- return val;
- #endif /* FLAT_INTENSITIIES */
-}
-
-
-kernel void diffraction(global float *diff, float k, float weight,
- int w, float corner_x, float corner_y,
- float fsx, float fsy, float fsz,
- float ssx, float ssy, float ssz,
- float res, float clen, float16 cell,
- global float *intensities, global float *flags,
- read_only image2d_t func_a,
- read_only image2d_t func_b,
- read_only image2d_t func_c,
- local float *tmp)
-{
- float fs, ss;
- float f_lattice, I_lattice;
- float I_molecule;
- float4 q;
- const int ls0 = get_local_size(0);
- const int ls1 = get_local_size(1);
- const int li0 = get_local_id(0);
- const int li1 = get_local_id(1);
- const int ls = ls0 * ls1;
-
- /* Calculate fractional coordinates in fs/ss */
- fs = convert_float(get_global_id(0)) / convert_float(ls0);
- ss = convert_float(get_global_id(1)) / convert_float(ls1);
-
- /* Get the scattering vector */
- q = get_q(fs, ss, res, clen, k,
- corner_x, corner_y, fsx, fsy, fsz, ssx, ssy, ssz);
-
- /* Calculate the diffraction */
- f_lattice = lattice_factor(cell, q, func_a, func_b, func_c);
- I_molecule = molecule_factor(intensities, flags, cell, q);
- I_lattice = pow(f_lattice, 2.0f);
-
- tmp[li0 + ls0*li1] = I_molecule * I_lattice;
-
- barrier(CLK_LOCAL_MEM_FENCE);
-
- /* First thread in group sums the samples */
- if ( li0 + li1 == 0 ) {
-
- int i;
- float sum = 0.0;
- float val;
- int idx;
-
- idx = convert_int_rtz(fs) + w*convert_int_rtz(ss);
-
- for ( i=0; i<ls; i++ ) sum += tmp[i];
-
- val = weight * sum / convert_float(ls);
- diff[idx] = val;
-
- }
-
-}
diff --git a/data/gen-resources b/data/gen-resources
deleted file mode 100755
index 273f7db7..00000000
--- a/data/gen-resources
+++ /dev/null
@@ -1,20 +0,0 @@
-#!/bin/sh
-
-function gen_resource()
-{
- INFILE=$1
- OUTFILE=$2
-
- echo "/*" > $OUTFILE
- echo " * This file was generated from $INFILE" >> $OUTFILE
- echo " * using the following command:" >> $OUTFILE
- echo " * xxd -i $INFILE $OUTFILE" >> $OUTFILE
- echo " *" >> $OUTFILE
- echo " * If you have 'xxd' installed, you can run the script" >> $OUTFILE
- echo " * data/gen-resources to re-create this file." >> $OUTFILE
- echo " */" >> $OUTFILE
- echo >> $OUTFILE
- xxd -i $INFILE >> $OUTFILE
-}
-
-gen_resource data/diffraction.cl src/diffraction.cl.h
generated by cgit v1.2.3 (git 2.25.1) at 2024-05-20 22:10:09 +0000