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authorThomas White <taw@physics.org>2014-07-25 18:06:45 +0200
committerThomas White <taw@physics.org>2014-08-04 14:23:57 +0200
commit18d00d8f6f82faf17067425b0f6ca6e271f18c7c (patch)
tree24df1f1ba15d00846ce48e2f9258a4d020189625 /src/diffraction-gpu.c
parentbd760024d5dfb16d8beaac01ca4dec9102d236f1 (diff)
A better way of doing GPU symmetry
Diffstat (limited to 'src/diffraction-gpu.c')
-rw-r--r--src/diffraction-gpu.c87
1 files changed, 36 insertions, 51 deletions
diff --git a/src/diffraction-gpu.c b/src/diffraction-gpu.c
index 8b165856..f031e07f 100644
--- a/src/diffraction-gpu.c
+++ b/src/diffraction-gpu.c
@@ -381,6 +381,7 @@ struct gpu_context *setup_gpu(int no_sfac,
size_t maxwgsize;
int i;
char cflags[512] = "";
+ char *insert_stuff = NULL;
STATUS("Setting up GPU...\n");
@@ -440,57 +441,41 @@ struct gpu_context *setup_gpu(int no_sfac,
if ( sym != NULL ) {
- /* Triclinic */
- if ( strcmp(sym, "1") == 0 ) {
- strncat(cflags, "-DPG1 ", 511-strlen(cflags));
- } else if ( strcmp(sym, "-1") == 0 ) {
- strncat(cflags, "-DPG1BAR ", 511-strlen(cflags));
-
- /* Monoclinic */
- /* FIXME: 2, 2/m, (m)*/
-
- /* Orthorhombic */
- } else if ( strcmp(sym, "mmm") == 0 ) {
- strncat(cflags, "-DPGMMM ", 511-strlen(cflags));
- /* FIXME: 222, mmm, (mm2) */
-
- /* Tetragonal */
- } else if ( strcmp(sym, "4") == 0 ) {
- strncat(cflags, "-DPG4 ", 511-strlen(cflags));
- } else if ( strcmp(sym, "422") == 0 ) {
- strncat(cflags, "-DPG422 ", 511-strlen(cflags));
- /* FIXME: 4/m, 4/mmm, (-42m, -4m2, -4, 4mm) */
-
- /* Trigonal (rhombohedral) */
- /* FIXME: 3, 32, -3m, (3m) */
-
- /* Trigonal (hexagonal) */
- } else if ( strcmp(sym, "321_H") == 0 ) {
- strncat(cflags, "-DPG321H ", 511-strlen(cflags));
- /* FIXME: 3, -3, 312, -31m -3m1, (3m1, 31m) */
-
- /* Hexagonal */
- } else if ( strcmp(sym, "6") == 0 ) {
- strncat(cflags, "-DPG6 ", 511-strlen(cflags));
- } else if ( strcmp(sym, "6/m") == 0 ) {
- strncat(cflags, "-DPG6M ", 511-strlen(cflags));
- } else if ( strcmp(sym, "6/mmm") == 0 ) {
- strncat(cflags, "-DPG6MMM ", 511-strlen(cflags));
- /* FIXME: 622, (-6, -6m2, -62m) */
-
- /* Cubic */
- } else if ( strcmp(sym, "23") == 0 ) {
- strncat(cflags, "-DPG23 ", 511-strlen(cflags));
- } else if ( strcmp(sym, "m-3") == 0 ) {
- strncat(cflags, "-DPGM3 ", 511-strlen(cflags));
- /* FIXME: 432, m-3m, (-43m) */
-
- } else {
- ERROR("Sorry! Point group '%s' is not currently"
- " supported on the GPU."
- " I'm using '1' instead.\n", sym);
- strncat(cflags, "-DPG1 ", 511-strlen(cflags));
+ int i, n;
+ SymOpList *pg;
+ size_t islen = 0;
+
+ insert_stuff = malloc(16384);
+ if ( insert_stuff == NULL ) return NULL;
+ insert_stuff[0] = '\0';
+
+ pg = get_pointgroup(sym);
+ n = num_equivs(pg, NULL);
+ for ( i=0; i<n; i++ ) {
+
+ IntegerMatrix *op = get_symop(pg, NULL, i);
+ char line[1024];
+
+ snprintf(line, 1023,
+ "val += lookup_flagged_intensity(intensities, "
+ "flags, %s, %s, %s);\n\t",
+ get_matrix_name(op, 0),
+ get_matrix_name(op, 1),
+ get_matrix_name(op, 2));
+
+ islen += strlen(line);
+ if ( islen > 16383 ) {
+ ERROR("Too many symmetry operators.\n");
+ return NULL;
+ }
+ strcat(insert_stuff, line);
+
}
+
+ free_symoplist(pg);
+
+ printf("Inserting --->%s<---\n", insert_stuff);
+
} else {
if ( intensities != NULL ) {
ERROR("You gave me an intensities file but no point"
@@ -522,7 +507,7 @@ struct gpu_context *setup_gpu(int no_sfac,
free(flags_ptr);
gctx->prog = load_program(DATADIR"/crystfel/diffraction.cl", gctx->ctx,
- dev, &err, cflags);
+ dev, &err, cflags, insert_stuff);
if ( err != CL_SUCCESS ) {
free(gctx);
return NULL;