Beam and detector geometry don't need to be copied

The did when this was all done with threads, but with separate processes each worker has its own copy of
the structure already.  It can be updated after every image and freed at the end.

5 files changed, 35 insertions, 56 deletions

diff --git a/libcrystfel/src/beam-parameters.c b/libcrystfel/src/beam-parameters.c
index 2236fddb..617f9061 100644
--- a/libcrystfel/src/beam-parameters.c
+++ b/libcrystfel/src/beam-parameters.c
@@ -149,11 +149,17 @@ struct beam_params *get_beam_parameters(const char *filename)
 	return b;
 }
 
-void fill_in_beamParam(struct beam_params *beam, struct hdfile *f)
+
+void free_beam_parameters(struct beam_params *beam)
+{
+	free(beam->photon_energy_from);
+	free(beam);
+}
+
+
+void fill_in_beam_parameters(struct beam_params *beam, struct hdfile *f)
 {
 	if ( beam->photon_energy_from != NULL ) {
-		beam->photon_energy = get_value(f, beam->photon_energy_from );
-		free(beam->photon_energy_from);
-		beam->photon_energy_from = NULL;
+		beam->photon_energy = get_value(f, beam->photon_energy_from);
 	}
 }
diff --git a/libcrystfel/src/beam-parameters.h b/libcrystfel/src/beam-parameters.h
index e0b16895..8212811b 100644
--- a/libcrystfel/src/beam-parameters.h
+++ b/libcrystfel/src/beam-parameters.h
@@ -41,6 +41,7 @@ struct beam_params
 	double fluence;        /* photons per pulse */
 	double beam_radius;    /* metres */
 	double photon_energy;  /* eV per photon */
+	char *photon_energy_from; /* HDF5 dataset name */
 	double bandwidth;      /* FWHM(wavelength) over wavelength.
 	                        *  Note: current simulation code just uses
 	                        *        a rectangular distribution with this as
@@ -48,13 +49,12 @@ struct beam_params
 	double divergence;     /* divergence (radians) */
 
 	double profile_radius; /* Reciprocal space size of a reflection */
-
-	char *photon_energy_from; /* hdf5 group name */
 };
 
 
 extern struct beam_params *get_beam_parameters(const char *filename);
+extern void free_beam_parameters(struct beam_params *beam);
 
-extern void fill_in_beamParam(struct beam_params *beam, struct hdfile *f);
+extern void fill_in_beam_parameters(struct beam_params *beam, struct hdfile *f);
 
 #endif	/* BEAM_PARAMETERS_H */
diff --git a/libcrystfel/src/detector.c b/libcrystfel/src/detector.c
index 4216838d..41ebcc9a 100644
--- a/libcrystfel/src/detector.c
+++ b/libcrystfel/src/detector.c
@@ -462,8 +462,6 @@ void fill_in_values(struct detector *det, struct hdfile *f)
 
 		if ( p->clen_from != NULL ) {
 			p->clen = get_value(f, p->clen_from) * 1.0e-3;
-			free(p->clen_from);
-			p->clen_from = NULL;
 		}
 
 		p->clen += p->coffset;
diff --git a/src/im-sandbox.c b/src/im-sandbox.c
index d1696969..32bcba15 100644
--- a/src/im-sandbox.c
+++ b/src/im-sandbox.c
@@ -174,7 +174,6 @@ static void process_image(const struct index_args *iargs,
 	int config_noisefilter = iargs->config_noisefilter;
 	int config_verbose = iargs->config_verbose;
 	IndexingMethod *indm = iargs->indm;
-	struct beam_params *beam = iargs->beam;
 	int check;
 	struct hdfile *hdfile;
 	struct image image;
@@ -183,13 +182,13 @@ static void process_image(const struct index_args *iargs,
 	image.data = NULL;
 	image.flags = NULL;
 	image.indexed_cell = NULL;
-	image.det = copy_geom(iargs->det);
 	image.copyme = iargs->copyme;
 	image.reflections = NULL;
 	image.n_saturated = 0;
 	image.id = cookie;
 	image.filename = pargs->filename;
-	image.beam = beam;
+	image.beam = iargs->beam;
+	image.det = iargs->det;
 
 	hdfile = hdfile_open(image.filename);
 	if ( hdfile == NULL ) return;
@@ -231,48 +230,23 @@ static void process_image(const struct index_args *iargs,
 		      image.width, image.height,
 		      image.det->max_fs + 1, image.det->max_ss + 1);
 		hdfile_close(hdfile);
-		free_detector_geometry(image.det);
 		return;
 	}
 
-	if (beam->photon_energy == 0) { // read from existing hdf5
-		fill_in_beamParam(beam, hdfile);
-	}
-	image.lambda = ph_en_to_lambda(eV_to_J(beam->photon_energy));
+	fill_in_values(image.det, hdfile);
+	fill_in_beam_parameters(image.beam, hdfile);
 
-	if ( image.lambda < 0.0 ) {
-		if ( beam != NULL ) {
-			ERROR("Using nominal photon energy of %.2f eV\n",
-			      beam->photon_energy);
-			image.lambda = ph_en_to_lambda(
-			                          eV_to_J(beam->photon_energy));
-		} else {
-			ERROR("No wavelength in file, so you need to give "
-				"a beam parameters file with -b.\n");
-			hdfile_close(hdfile);
-			free_detector_geometry(image.det);
-			return;
-		}
-	}
+	image.lambda = ph_en_to_lambda(eV_to_J(image.beam->photon_energy));
 
-	if ( image.lambda > 1000 ) {
-		if ( beam != NULL ) {
-			ERROR("Nonsensical wavelength in HDF5."
-			      "Using nominal photon energy of %.2f eV\n",
-			      beam->photon_energy);
-			image.lambda = ph_en_to_lambda(
-			                          eV_to_J(beam->photon_energy));
-		} else {
-			ERROR("Nonsensical wavelength in file, so you need to "
-			      "give a beam parameters file with -b.\n");
-			hdfile_close(hdfile);
-			free_detector_geometry(image.det);
-			return;
-		}
+	if ( (image.beam->photon_energy < 0.0) || (image.lambda > 1000) ) {
+		/* Error message covers a silly value in the beam file or in
+		 * the HDF5 file. */
+		ERROR("Nonsensical wavelength (%e m or %e eV) value for %s.\n",
+		      image.lambda, image.beam->photon_energy, image.filename);
+		hdfile_close(hdfile);
+		return;
 	}
 
-	fill_in_values(image.det, hdfile);
-
 	if ( config_cmfilter ) {
 		filter_cm(&image);
 	}
@@ -318,9 +292,9 @@ static void process_image(const struct index_args *iargs,
 	image.data = data_for_measurement;
 
 	/* Calculate orientation matrix (by magic) */
-	image.div = beam->divergence;
-	image.bw = beam->bandwidth;
-	image.profile_radius = beam->profile_radius;
+	image.div = image.beam->divergence;
+	image.bw = image.beam->bandwidth;
+	image.profile_radius = image.beam->profile_radius;
 
 	index_pattern(&image, cell, indm, iargs->cellr,
 	              config_verbose, iargs->ipriv,
@@ -356,7 +330,6 @@ static void process_image(const struct index_args *iargs,
 	if ( image.flags != NULL ) free(image.flags);
 	image_feature_list_free(image.features);
 	hdfile_close(hdfile);
-	free_detector_geometry(image.det);
 }
 
 
@@ -428,7 +401,7 @@ static void run_work(const struct index_args *iargs,
 	free(iargs->indm);
 	free(iargs->ipriv);
 	free_detector_geometry(iargs->det);
-	free(iargs->beam);
+	free_beam_parameters(iargs->beam);
 	free(iargs->element);
 	free(iargs->hdf5_peak_path);
 	free_copy_hdf5_field_list(iargs->copyme);
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index 17aa8030..89413a07 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -493,19 +493,21 @@ int main(int argc, char *argv[])
 		ERROR("Failed to read beam parameters from '%s'\n", beamfile);
 		return 1;
 	}
-	free(beamfile);
 
 	/* Define image parameters */
 	image.width = image.det->max_fs + 1;
 	image.height = image.det->max_ss + 1;
-	if (image.beam->photon_energy == 0) {
-		ERROR("Invalid photon_energy format in beam file\n")
+	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;
 	} else {
-		image.lambda = ph_en_to_lambda(eV_to_J(image.beam->photon_energy));
+		double wl = ph_en_to_lambda(eV_to_J(image.beam->photon_energy));
+		image.lambda = wl;
 	}
 	image.bw = image.beam->bandwidth;
 	image.div = image.beam->divergence;
+	free(beamfile);
 
 	/* Load unit cell */
 	input_cell = load_cell_from_pdb(filename);