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Diffstat (limited to 'src/pattern_sim.c')
-rw-r--r--src/pattern_sim.c30
1 files changed, 25 insertions, 5 deletions
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index 65999718..44963b9d 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -47,6 +47,7 @@ static void show_help(const char *s)
" intensities file)\n"
" --simulation-details Show technical details of the simulation.\n"
" --gpu Use the GPU to speed up the calculation.\n"
+" -g. --geometry=<file> Get detector geometry from file.\n"
"\n"
" --near-bragg Output h,k,l,I near Bragg conditions.\n"
" -n, --number=<N> Generate N images. Default 1.\n"
@@ -187,6 +188,7 @@ int main(int argc, char *argv[])
char *filename = NULL;
char *grad_str = NULL;
char *outfile = NULL;
+ char *geometry = NULL;
GradientMethod grad;
int ndone = 0; /* Number of simulations done (images or not) */
int number = 1; /* Number used for filename of image */
@@ -208,14 +210,16 @@ int main(int argc, char *argv[])
{"no-noise", 0, &config_nonoise, 1},
{"intensities", 1, NULL, 'i'},
{"powder", 1, NULL, 'w'},
- {"gradients", 1, NULL, 'g'},
+ {"gradients", 1, NULL, 't'},
{"pdb", 1, NULL, 'p'},
{"output", 1, NULL, 'o'},
+ {"geometry", 1, NULL, 'g'},
{0, 0, NULL, 0}
};
/* Short options */
- while ((c = getopt_long(argc, argv, "hrn:i:g:p:o:", longopts, NULL)) != -1) {
+ while ((c = getopt_long(argc, argv, "hrn:i:t:p:o:",
+ longopts, NULL)) != -1) {
switch (c) {
case 'h' : {
@@ -238,7 +242,7 @@ int main(int argc, char *argv[])
break;
}
- case 'g' : {
+ case 't' : {
grad_str = strdup(optarg);
break;
}
@@ -258,6 +262,11 @@ int main(int argc, char *argv[])
break;
}
+ case 'g' : {
+ geometry = strdup(optarg);
+ break;
+ }
+
case 0 : {
break;
}
@@ -329,6 +338,11 @@ int main(int argc, char *argv[])
return 1;
}
+ if ( geometry == NULL ) {
+ ERROR("You need to specify a geometry file with --geometry\n");
+ return 1;
+ }
+
/* Define image parameters */
image.width = 1024;
image.height = 1024;
@@ -343,7 +357,12 @@ int main(int argc, char *argv[])
image.f0 = 1.0;
image.f0_available = 1;
- #include "geometry-lcls.tmp"
+ image.det = get_detector_geometry(geometry);
+ if ( image.det == NULL ) {
+ ERROR("Failed to read detector geometry from '%s'\n", geometry);
+ return 1;
+ }
+ free(geometry);
powder = calloc(image.width*image.height, sizeof(*powder));
@@ -461,7 +480,8 @@ skip:
cleanup_gpu(gctx);
}
- free(image.det.panels);
+ free(image.det->panels);
+ free(image.det);
free(powder);
free(cell);
free(intensities);