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-rw-r--r--src/indexamajig.c56
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);