diff options
| -rw-r--r-- | src/diffraction-gpu.c | 8 | ||||
| -rw-r--r-- | src/diffraction-gpu.h | 4 | ||||
| -rw-r--r-- | src/indexamajig.c | 2 | ||||
| -rw-r--r-- | src/pattern_sim.c | 2 |
4 files changed, 10 insertions, 6 deletions
diff --git a/src/diffraction-gpu.c b/src/diffraction-gpu.c index e142035d..91d6334f 100644 --- a/src/diffraction-gpu.c +++ b/src/diffraction-gpu.c @@ -342,7 +342,7 @@ void get_diffraction_gpu(struct gpu_context *gctx, struct image *image, /* Setup the OpenCL stuff, create buffers, load the structure factor table */ struct gpu_context *setup_gpu(int no_sfac, struct image *image, - double *intensities) + double *intensities, unsigned int *counts) { struct gpu_context *gctx; cl_uint nplat; @@ -403,7 +403,11 @@ struct gpu_context *setup_gpu(int no_sfac, struct image *image, intensities_ptr = malloc(intensities_size); if ( intensities != NULL ) { for ( i=0; i<IDIM*IDIM*IDIM; i++ ) { - intensities_ptr[i] = intensities[i]; + if ( counts[i] == 1 ) { + intensities_ptr[i] = intensities[i]; + } else { + intensities_ptr[i] = 1.0e20; + } } } else { for ( i=0; i<IDIM*IDIM*IDIM; i++ ) { diff --git a/src/diffraction-gpu.h b/src/diffraction-gpu.h index a9e46b66..9d74dec4 100644 --- a/src/diffraction-gpu.h +++ b/src/diffraction-gpu.h @@ -26,7 +26,7 @@ struct gpu_context; extern void get_diffraction_gpu(struct gpu_context *gctx, struct image *image, int na, int nb, int nc, UnitCell *ucell); extern struct gpu_context *setup_gpu(int no_sfac, struct image *image, - double *intensities); + double *intensities, unsigned int *counts); extern void cleanup_gpu(struct gpu_context *gctx); #else @@ -39,7 +39,7 @@ static void get_diffraction_gpu(struct gpu_context *gctx, struct image *image, } static struct gpu_context *setup_gpu(int no_sfac, struct image *image, - double *intensities) + double *intensities, unsigned int *counts) { return NULL; } diff --git a/src/indexamajig.c b/src/indexamajig.c index c24b0e6b..1ffae789 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -151,7 +151,7 @@ static void simulate_and_write(struct image *simage, struct gpu_context **gctx, { /* Set up GPU if necessary */ if ( (gctx != NULL) && (*gctx == NULL) ) { - *gctx = setup_gpu(0, simage, intensities); + *gctx = setup_gpu(0, simage, intensities, counts); } if ( (gctx != NULL) && (*gctx != NULL) ) { diff --git a/src/pattern_sim.c b/src/pattern_sim.c index 3fa1155f..3593e4b4 100644 --- a/src/pattern_sim.c +++ b/src/pattern_sim.c @@ -292,7 +292,7 @@ int main(int argc, char *argv[]) if ( config_gpu ) { if ( gctx == NULL ) { gctx = setup_gpu(config_nosfac, &image, - intensities); + intensities, counts); } get_diffraction_gpu(gctx, &image, na, nb, nc, cell); } else { |