Remove bandwidth, divergence and profile radius from struct beam_params

4 files changed, 38 insertions, 65 deletions

diff --git a/libcrystfel/src/image.h b/libcrystfel/src/image.h
index bc78147e..6589ac1a 100644
--- a/libcrystfel/src/image.h
+++ b/libcrystfel/src/image.h
@@ -104,10 +104,6 @@ struct beam_params
 	char  *photon_energy_from; /* HDF5 dataset name */
 	double photon_energy_scale;  /* Scale factor for photon energy, if the
 	                              * energy is to be from the HDF5 file */
-	double bandwidth;      /* FWHM(wavelength) over wavelength. */
-	double divergence;     /* divergence (radians) */
-
-	double profile_radius; /* Reciprocal space size of a reflection */
 };
 
 
diff --git a/src/partial_sim.c b/src/partial_sim.c
index 8d8bc885..10f5e58d 100644
--- a/src/partial_sim.c
+++ b/src/partial_sim.c
@@ -263,6 +263,7 @@ struct queue_args
 	double full_stddev;
 	double noise_stddev;
 	double background;
+	double profile_radius;
 
 	struct image *template_image;
 	double max_q;
@@ -338,7 +339,7 @@ static void run_job(void *vwargs, int cookie)
 	} while ( osf <= 0.0 );
 	crystal_set_osf(cr, osf);
 	crystal_set_mosaicity(cr, 0.0);
-	crystal_set_profile_radius(cr, wargs->image.beam->profile_radius);
+	crystal_set_profile_radius(cr, qargs->profile_radius);
 
 	/* Set up a random orientation */
 	orientation = random_quaternion(qargs->rngs[cookie]);
@@ -429,27 +430,24 @@ int main(int argc, char *argv[])
 	struct queue_args qargs;
 	struct image image;
 	int n_threads = 1;
-	double cnoise = 0.0;
 	char *rval;
 	int i;
 	FILE *fh;
 	char *phist_file = NULL;
-	double osf_stddev = 2.0;
-	double full_stddev = 1000.0;
-	double noise_stddev = 20.0;
-	double background = 3000.0;
 	gsl_rng *rng_for_seeds;
 	int config_random = 0;
 	char *image_prefix = NULL;
 
-	/* Default beam parameters */
-	beam.divergence = 0.001;
-	beam.bandwidth = 0.01;
-	beam.profile_radius = 0.001e9;
-	beam.photon_energy = 9000.0;
-
-	/* Beam parameters which it doesn't make sense to use here */
-	beam.photon_energy_scale = 1.0;
+	/* Default simulation parameters */
+	double divergence = 0.001;
+	double bandwidth = 0.01;
+	double profile_radius = 0.001e9;
+	double photon_energy = 9000.0;
+	double osf_stddev = 2.0;
+	double full_stddev = 1000.0;
+	double noise_stddev = 20.0;
+	double background = 3000.0;
+	double cnoise = 0.0;
 
 	/* Long options */
 	const struct option longopts[] = {
@@ -594,48 +592,48 @@ int main(int argc, char *argv[])
 			break;
 
 			case 8 :
-			beam.divergence = strtod(optarg, &rval);
+			divergence = strtod(optarg, &rval);
 			if ( *rval != '\0' ) {
 				ERROR("Invalid beam divergence.\n");
 				return 1;
 			}
-			if ( beam.divergence < 0.0 ) {
+			if ( divergence < 0.0 ) {
 				ERROR("Beam divergence must be positive.\n");
 				return 1;
 			}
 			break;
 
 			case 9 :
-			beam.bandwidth = strtod(optarg, &rval);
+			bandwidth = strtod(optarg, &rval);
 			if ( *rval != '\0' ) {
 				ERROR("Invalid beam bandwidth.\n");
 				return 1;
 			}
-			if ( beam.bandwidth < 0.0 ) {
+			if ( bandwidth < 0.0 ) {
 				ERROR("Beam bandwidth must be positive.\n");
 				return 1;
 			}
 			break;
 
 			case 10 :
-			beam.profile_radius = strtod(optarg, &rval);
+			profile_radius = strtod(optarg, &rval);
 			if ( *rval != '\0' ) {
 				ERROR("Invalid profile radius.\n");
 				return 1;
 			}
-			if ( beam.divergence < 0.0 ) {
+			if ( divergence < 0.0 ) {
 				ERROR("Profile radius must be positive.\n");
 				return 1;
 			}
 			break;
 
 			case 11 :
-			beam.photon_energy = strtod(optarg, &rval);
+			photon_energy = strtod(optarg, &rval);
 			if ( *rval != '\0' ) {
 				ERROR("Invalid photon energy.\n");
 				return 1;
 			}
-			if ( beam.photon_energy < 0.0 ) {
+			if ( photon_energy < 0.0 ) {
 				ERROR("Photon energy must be positive.\n");
 				return 1;
 			}
@@ -745,10 +743,9 @@ int main(int argc, char *argv[])
 	image.width = det->max_fs + 1;
 	image.height = det->max_ss + 1;
 
-	image.lambda = ph_en_to_lambda(eV_to_J(beam.photon_energy));
-	image.div = beam.divergence;
-	image.bw = beam.bandwidth;
-	image.beam = &beam;
+	image.lambda = ph_en_to_lambda(eV_to_J(photon_energy));
+	image.div = divergence;
+	image.bw = bandwidth;
 	image.filename = "dummy.h5";
 	image.copyme = NULL;
 	image.crystals = NULL;
@@ -780,6 +777,7 @@ int main(int argc, char *argv[])
 	qargs.background = background;
 	qargs.max_q = largest_q(&image);
 	qargs.image_prefix = image_prefix;
+	qargs.profile_radius = profile_radius;
 
 	qargs.rngs = malloc(n_threads * sizeof(gsl_rng *));
 	if ( qargs.rngs == NULL ) {
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index 20a96d84..0410da21 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -269,18 +269,10 @@ int main(int argc, char *argv[])
 	char *template_file = NULL;
 	Stream *st = NULL;
 	int no_fringes = 0;
-	struct beam_params beam;
 	double nphotons = 1e12;
 	double beam_radius = 1e-6;  /* metres */
-
-	/* Default beam parameters */
-	beam.bandwidth = 0.01;
-	beam.profile_radius = 0.001e9;
-	beam.photon_energy = 9000.0;
-
-	/* Beam parameters which it doesn't make sense to use here */
-	beam.photon_energy_scale = 1.0;
-	beam.divergence = -1.0;  /* (not implemented .. yet?) */
+	double bandwidth = 0.01;
+	double photon_energy = 9000.0;
 
 	/* Long options */
 	const struct option longopts[] = {
@@ -423,24 +415,24 @@ int main(int argc, char *argv[])
 			break;
 
 			case 7 :
-			beam.bandwidth = strtod(optarg, &rval);
+			bandwidth = strtod(optarg, &rval);
 			if ( *rval != '\0' ) {
 				ERROR("Invalid beam bandwidth.\n");
 				return 1;
 			}
-			if ( beam.bandwidth < 0.0 ) {
+			if ( bandwidth < 0.0 ) {
 				ERROR("Beam bandwidth must be positive.\n");
 				return 1;
 			}
 			break;
 
 			case 9 :
-			beam.photon_energy = strtod(optarg, &rval);
+			photon_energy = strtod(optarg, &rval);
 			if ( *rval != '\0' ) {
 				ERROR("Invalid photon energy.\n");
 				return 1;
 			}
-			if ( beam.photon_energy < 0.0 ) {
+			if ( photon_energy < 0.0 ) {
 				ERROR("Photon energy must be positive.\n");
 				return 1;
 			}
@@ -615,16 +607,10 @@ int main(int argc, char *argv[])
 	/* Define image parameters */
 	image.width = image.det->max_fs + 1;
 	image.height = image.det->max_ss + 1;
-	if ( image.beam->photon_energy_from != NULL ) {
-		ERROR("Photon energy must be specified, not taken from the"
-		      " HDF5 file.  Please alter %s accordingly.\n", beamfile)
-		return 1;
-	}
 
-	double wl = ph_en_to_lambda(eV_to_J(beam.photon_energy));
+	double wl = ph_en_to_lambda(eV_to_J(photon_energy));
 	image.lambda = wl;
-	image.bw = beam.bandwidth;
-	image.div = beam.divergence;
+	image.bw = bandwidth;
 	image.nsamples = nsamples;
 	free(beamfile);
 
diff --git a/tests/gpu_sim_check.c b/tests/gpu_sim_check.c
index a829d1db..677999ab 100644
--- a/tests/gpu_sim_check.c
+++ b/tests/gpu_sim_check.c
@@ -80,7 +80,6 @@ int main(int argc, char *argv[])
 	UnitCell *cell;
 	UnitCell *cell_raw;
 	struct detector *det;
-	struct beam_params *beam;
 	int i;
 	double gpu_min, gpu_max, gpu_tot;
 	double cpu_min, cpu_max, cpu_tot;
@@ -150,18 +149,13 @@ int main(int argc, char *argv[])
 
 	cpu_image.det = det;
 	gpu_image.det = det;
+	cpu_image.beam = NULL;
+	gpu_image.beam = NULL;
 
-	beam = calloc(1, sizeof(struct beam_params));
-	beam->photon_energy = 6000.0;
-	beam->bandwidth = 1.0 / 100.0;
-	beam->divergence = 0.0;
-	cpu_image.beam = beam;
-	gpu_image.beam = beam;
-
-	cpu_image.lambda = ph_en_to_lambda(eV_to_J(beam->photon_energy));
-	gpu_image.lambda = ph_en_to_lambda(eV_to_J(beam->photon_energy));
-	cpu_image.bw = beam->bandwidth;
-	gpu_image.bw = beam->bandwidth;
+	cpu_image.lambda = ph_en_to_lambda(eV_to_J(6000));
+	gpu_image.lambda = ph_en_to_lambda(eV_to_J(6000));
+	cpu_image.bw = 1.0 / 100.0;
+	gpu_image.bw = 1.0 / 100.0;
 
 	cpu_image.nsamples = 10;
 	gpu_image.nsamples = 10;
@@ -210,7 +204,6 @@ int main(int argc, char *argv[])
 
 	cell_free(cell);
 	free_detector_geometry(det);
-	free(beam);
 
 	if ( perc > 1.0 ) {