Use ADU per eV in geometry file, rather than ADU per photon in beam file

Conflicts:

	src/get_hkl.c
	tests/morphology_check.c

5 files changed, 20 insertions, 23 deletions

diff --git a/libcrystfel/src/beam-parameters.c b/libcrystfel/src/beam-parameters.c
index 082e9651..654d7550 100644
--- a/libcrystfel/src/beam-parameters.c
+++ b/libcrystfel/src/beam-parameters.c
@@ -51,8 +51,6 @@ struct beam_params *get_beam_parameters(const char *filename)
 	b->photon_energy = -1.0;
 	b->bandwidth = -1.0;
 	b->divergence = -1.0;
-	b->dqe = -1.0;
-	b->adu_per_photon = -1.0;
 
 	do {
 
@@ -88,10 +86,6 @@ 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], "detector/dqe") == 0 ) {
-			b->dqe = atof(bits[2]);
-		} else if ( strcmp(bits[0], "detector/adu_per_photon") == 0 ) {
-			b->adu_per_photon = atof(bits[2]);
 		} else {
 			ERROR("Unrecognised field '%s'\n", bits[0]);
 		}
@@ -125,15 +119,6 @@ struct beam_params *get_beam_parameters(const char *filename)
 		ERROR("Invalid or unspecified value for 'beam/divergence'.\n");
 		reject = 1;
 	}
-	if ( b->dqe < 0.0 ) {
-		ERROR("Invalid or unspecified value for 'detector/dqe'.\n");
-		reject = 1;
-	}
-	if ( b->adu_per_photon < 0.0 ) {
-		ERROR("Invalid or unspecified value for"
-		      " 'detector/adu_per_photon'.\n");
-		reject = 1;
-	}
 
 	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 6f5d8a75..2cf1bf39 100644
--- a/libcrystfel/src/beam-parameters.h
+++ b/libcrystfel/src/beam-parameters.h
@@ -40,9 +40,6 @@ struct beam_params
 	                        *        a rectangular distribution with this as
 	                        *        its (full) width. */
 	double divergence;     /* divergence (radians) */
-
-	double dqe;            /* Detector DQE (fraction) */
-	double adu_per_photon; /* Detector "gain" */
 };
 
 
diff --git a/libcrystfel/src/detector.c b/libcrystfel/src/detector.c
index ee09eb73..6c4dcbb6 100644
--- a/libcrystfel/src/detector.c
+++ b/libcrystfel/src/detector.c
@@ -365,15 +365,14 @@ void record_image(struct image *image, int do_poisson)
 		sa = proj_area / (dsq + Lsq);
 
 		if ( do_poisson ) {
-			counts = poisson_noise(intensity * ph_per_e
-			                              * sa * image->beam->dqe );
+			counts = poisson_noise(intensity * ph_per_e * sa);
 		} else {
-			cf = intensity * ph_per_e * sa * image->beam->dqe;
+			cf = intensity * ph_per_e * sa;
 			counts = cf;
 		}
 
-		image->data[x + image->width*y] = counts
-		                                  * image->beam->adu_per_photon;
+		image->data[x + image->width*y] = counts * p->adu_per_eV
+		                               * ph_lambda_to_eV(image->lambda);
 
 		/* Sanity checks */
 		if ( isinf(image->data[x+image->width*y]) ) n_inf2++;
@@ -577,6 +576,8 @@ static int parse_field_for_panel(struct panel *panel, const char *key,
 		panel->cnx = atof(val);
 	} else if ( strcmp(key, "corner_y") == 0 ) {
 		panel->cny = atof(val);
+	} else if ( strcmp(key, "adu_per_eV") == 0 ) {
+		panel->adu_per_eV = atof(val);
 	} else if ( strcmp(key, "rigid_group") == 0 ) {
 		panel->rigid_group = find_or_add_rg(det, val);
 	} else if ( strcmp(key, "clen") == 0 ) {
@@ -737,6 +738,7 @@ struct detector *get_detector_geometry(const char *filename)
 	det->defaults.ssx = 0.0;
 	det->defaults.ssy = 1.0;
 	det->defaults.rigid_group = NULL;
+	det->defaults.adu_per_eV = NAN;
 	strncpy(det->defaults.name, "", 1023);
 
 	do {
@@ -871,6 +873,11 @@ struct detector *get_detector_geometry(const char *filename)
 			      " panel %s\n", det->panels[i].name);
 			reject = 1;
 		}
+		if ( isnan(det->panels[i].adu_per_eV) ) {
+			ERROR("Please specify the number of ADU per eV for"
+			      " panel %s\n", det->panels[i].name);
+			reject = 1;
+		}
 		/* It's OK if the badrow direction is '0' */
 		/* It's not a problem if "no_index" is still zero */
 		/* The default peak_sep is OK (maybe) */
@@ -1242,6 +1249,7 @@ int write_detector_geometry(const char *filename, struct detector *det)
 		fprintf(fh, "%s/ss = %+fx %+fy\n", p->name, p->ssx, p->ssy);
 		fprintf(fh, "%s/corner_x = %g\n", p->name, p->cnx);
 		fprintf(fh, "%s/corner_y = %g\n", p->name, p->cny);
+		fprintf(fh, "%s/adu_per_eV = %g\n", p->name, p->adu_per_eV);
 
 		if ( p->no_index ) {
 			fprintf(fh, "%s/no_index = 1\n", p->name);
diff --git a/libcrystfel/src/detector.h b/libcrystfel/src/detector.h
index 53aca93d..b3743935 100644
--- a/libcrystfel/src/detector.h
+++ b/libcrystfel/src/detector.h
@@ -59,6 +59,7 @@ struct panel
 	double   peak_sep; /* Characteristic peak separation */
 	double   integr_radius;  /* Peak integration radius */
 	char    *rigid_group;  /* Rigid group, or -1 for none */
+	double   adu_per_eV;   /* Number of ADU per eV */
 
 	double fsx;
 	double fsy;
diff --git a/libcrystfel/src/utils.h b/libcrystfel/src/utils.h
index 8d5ee479..8c11abd6 100644
--- a/libcrystfel/src/utils.h
+++ b/libcrystfel/src/utils.h
@@ -186,6 +186,12 @@ static inline int within_tolerance(double a, double b, double percent)
 /* Joules to eV */
 #define J_to_eV(a) ((a)/ELECTRON_CHARGE)
 
+/* Photon wavelength (m) to energy (eV) */
+#define ph_lambda_to_eV(a) J_to_eV(ph_lambda_to_en(a))
+
+/* Photon energy (eV) to wavelength (m) */
+#define ph_eV_to_lambda(a) ph_en_to_lambda(eV_to_J(a))
+
 #define UNUSED __attribute__((unused))