diff options
| -rw-r--r-- | src/indexamajig.c | 56 |
1 files changed, 38 insertions, 18 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 9a5f7ca2..f1c5f743 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -67,9 +67,11 @@ static void show_help(const char *s) } -static void simulate_and_write(struct image *template, struct gpu_context *gctx) +static void simulate_and_write(struct image *template, + struct gpu_context **gctx) { struct image image; + struct panel panels[2]; /* Simulate a diffraction pattern */ image.twotheta = NULL; @@ -86,15 +88,43 @@ static void simulate_and_write(struct image *template, struct gpu_context *gctx) * - not necessarily the same as the original. */ image.width = 1024; image.height = 1024; - image.det = template->det; - - image.lambda = template->lambda; + image.det.n_panels = 2; + + /* Upper */ + panels[0].min_x = 0; + panels[0].max_x = 1023; + panels[0].min_y = 512; + panels[0].max_y = 1023; + panels[0].cx = 523.6; + panels[0].cy = 502.5; + panels[0].clen = 56.4e-2; /* 56.4 cm */ + panels[0].res = 13333.3; /* 75 microns/pixel */ + + /* Lower */ + panels[1].min_x = 0; + panels[1].max_x = 1023; + panels[1].min_y = 0; + panels[1].max_y = 511; + panels[1].cx = 520.8; + panels[1].cy = 772.1; + panels[1].clen = 56.7e-2; /* 56.7 cm */ + panels[1].res = 13333.3; /* 75 microns/pixel */ + + image.det.panels = panels; + + image.lambda = ph_en_to_lambda(eV_to_J(1.8e3)); image.molecule = template->molecule; image.molecule->cell = template->indexed_cell; - if ( gctx != NULL ) { - get_diffraction_gpu(gctx, &image); + /* Set up GPU if necessary */ + if ( *gctx == NULL ) { + *gctx = setup_gpu(0, &image, image.molecule, + 24, 24, 40); + } + + if ( *gctx != NULL ) { + get_diffraction_gpu(*gctx, &image); } else { get_diffraction(&image, 8, 8, 8, 0, 0); } @@ -277,18 +307,8 @@ int main(int argc, char *argv[]) output_intensities(&image, image.indexed_cell); } - if ( config_simulate ) { - - /* Set up GPU if necessary */ - if ( gctx == NULL ) { - gctx = setup_gpu(0, &image, image.molecule, - 24, 24, 40); - } - - /* gctx remains NULL if OpenCL isn't available */ - simulate_and_write(&image, gctx); - - } + /* Simulate if requested */ + if ( config_simulate ) simulate_and_write(&image, &gctx); done: free(image.data); |