Allow geometry files to not contain photon_energy

3 files changed, 16 insertions, 17 deletions

diff --git a/libcrystfel/src/detector.c b/libcrystfel/src/detector.c
index a7da92bb..486fb32e 100644
--- a/libcrystfel/src/detector.c
+++ b/libcrystfel/src/detector.c
@@ -828,11 +828,7 @@ static void parse_toplevel(struct detector *det, struct beam_params *beam,
 		det->defaults.coffset = atof(val);
 
 	} else if ( strcmp(key, "photon_energy") == 0 ) {
-		if ( beam == NULL ) {
-			ERROR("Geometry file contains a reference to "
-			      "photon_energy, which is inappropriate in this "
-			      "situation.\n");
-		} else if ( strncmp(val, "/", 1) == 0 ) {
+		if ( strncmp(val, "/", 1) == 0 ) {
 			beam->photon_energy = 0.0;
 			beam->photon_energy_from = strdup(val);
 		} else {
@@ -841,11 +837,7 @@ static void parse_toplevel(struct detector *det, struct beam_params *beam,
 		}
 
 	} else if ( strcmp(key, "photon_energy_scale") == 0 ) {
-		if ( beam == NULL ) {
-			ERROR("Geometry file contains a reference to "
-			      "photon_energy_scale, which is inappropriate in "
-			      "this situation.\n");
-		} else {
+		if ( beam != NULL ) {
 			beam->photon_energy_scale = atof(val);
 		}
 
@@ -1282,12 +1274,6 @@ struct detector *get_detector_geometry(const char *filename,
 		}
 	}
 
-	if ( (beam != NULL) && (beam->photon_energy < -0.5) ) {
-		STATUS("Photon energy must be specified (note: this is now "
-		       "done in the 'geometry' file)\n");
-		reject = 1;
-	}
-
 	for ( x=0; x<=max_fs; x++ ) {
 	for ( y=0; y<=max_ss; y++ ) {
 		if ( find_panel(det, x, y) == NULL ) {
diff --git a/src/partial_sim.c b/src/partial_sim.c
index 504abf52..d2229f39 100644
--- a/src/partial_sim.c
+++ b/src/partial_sim.c
@@ -697,6 +697,12 @@ int main(int argc, char *argv[])
 		ERROR("Failed to read geometry from '%s'\n", geomfile);
 		return 1;
 	}
+	if ( (beam.photon_energy > 0.0) && (beam.photon_energy_from == NULL) ) {
+		ERROR("WARNING: An explicit photon energy was found in the "
+		      "geometry file.  It will be ignored!\n");
+		ERROR("The value given on the command line "
+		      "(with --photon-energy) will be used instead.\n");
+	}
 
 	if ( sym_str == NULL ) sym_str = strdup("1");
 	sym = get_pointgroup(sym_str);
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index af8fd4a4..fe30ae4c 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -270,6 +270,7 @@ int main(int argc, char *argv[])
 	double beam_radius = 1e-6;  /* metres */
 	double bandwidth = 0.01;
 	double photon_energy = 9000.0;
+	struct beam_params beam;
 
 	/* Long options */
 	const struct option longopts[] = {
@@ -537,12 +538,18 @@ int main(int argc, char *argv[])
 		ERROR("You need to specify a geometry file with --geometry\n");
 		return 1;
 	}
-	image.det = get_detector_geometry(geometry, NULL);
+	image.det = get_detector_geometry(geometry, &beam);
 	if ( image.det == NULL ) {
 		ERROR("Failed to read detector geometry from '%s'\n", geometry);
 		return 1;
 	}
 	free(geometry);
+	if ( (beam.photon_energy > 0.0) && (beam.photon_energy_from == NULL) ) {
+		ERROR("WARNING: An explicit photon energy was found in the "
+		      "geometry file.  It will be ignored!\n");
+		ERROR("The value given on the command line "
+		      "(with --photon-energy) will be used instead.\n");
+	}
 
 	if ( spectrum_str == NULL ) {
 		STATUS("You didn't specify a spectrum type, so"