New parameter in beam description files: profile_radius

2 files changed, 11 insertions, 0 deletions

diff --git a/libcrystfel/src/beam-parameters.c b/libcrystfel/src/beam-parameters.c
index bc5ee67c..3d6dc346 100644
--- a/libcrystfel/src/beam-parameters.c
+++ b/libcrystfel/src/beam-parameters.c
@@ -55,6 +55,7 @@ struct beam_params *get_beam_parameters(const char *filename)
 	b->photon_energy = -1.0;
 	b->bandwidth = -1.0;
 	b->divergence = -1.0;
+	b->profile_radius = -1.0;
 
 	do {
 
@@ -90,6 +91,8 @@ struct beam_params *get_beam_parameters(const char *filename)
 			b->bandwidth = atof(bits[2]);
 		} else if ( strcmp(bits[0], "beam/divergence") == 0 ) {
 			b->divergence = atof(bits[2]);
+		} else if ( strcmp(bits[0], "profile_radius") == 0 ) {
+			b->profile_radius = atof(bits[2]);
 		} else {
 			ERROR("Unrecognised field '%s'\n", bits[0]);
 		}
@@ -123,6 +126,12 @@ struct beam_params *get_beam_parameters(const char *filename)
 		ERROR("Invalid or unspecified value for 'beam/divergence'.\n");
 		reject = 1;
 	}
+	if ( b->profile_radius < 0.0 ) {
+		ERROR("WARNING: Invalid or unspecified value for"
+		      "'profile_radius' in the beam parameters file.\n");
+		ERROR("Using the default value of 0.001 nm^-1.\n");
+		b->profile_radius = 0.001e9;
+	}
 
 	if ( reject ) {
 		ERROR("Please fix the above problems with the beam"
diff --git a/libcrystfel/src/beam-parameters.h b/libcrystfel/src/beam-parameters.h
index fe3d3c56..133e041b 100644
--- a/libcrystfel/src/beam-parameters.h
+++ b/libcrystfel/src/beam-parameters.h
@@ -44,6 +44,8 @@ struct beam_params
 	                        *        a rectangular distribution with this as
 	                        *        its (full) width. */
 	double divergence;     /* divergence (radians) */
+
+	double profile_radius; /* Reciprocal space size of a reflection */
 };