From 3d22f28223ee6dcef7e8d0cba247ac112942e344 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Thu, 26 Nov 2009 12:20:05 +0100
Subject: Move constants around

---
 src/detector.c    |  6 +++++-
 src/diffraction.c | 18 ++++--------------
 src/diffraction.h |  3 ++-
 src/utils.h       | 11 ++++++++++-
 4 files changed, 21 insertions(+), 17 deletions(-)

(limited to 'src')

diff --git a/src/detector.c b/src/detector.c
index 1e0e4a2f..9f28a624 100644
--- a/src/detector.c
+++ b/src/detector.c
@@ -29,6 +29,9 @@
 /* Detector's saturation value */
 #define SATURATION (60000)
 
+/* Radius of X-ray beam */
+#define BEAM_RADIUS (3.0e-6)
+
 
 /* Bleed excess intensity into neighbouring pixels */
 static void bloom_values(double *tmp, int x, int y,
@@ -169,7 +172,8 @@ void record_image(struct image *image)
 
 		/* Add intensity contribution from water */
 		water = water_intensity(image->qvecs[x + image->width*y],
-		                        image->xray_energy);
+		                        image->xray_energy,
+		                        BEAM_RADIUS, 1.5e-6);
 
 		//printf("%e, %e, ", intensity, water);
 		intensity += water;
diff --git a/src/diffraction.c b/src/diffraction.c
index f1322c04..10e12c4d 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -23,15 +23,8 @@
 #include "diffraction.h"
 #include "sfac.h"
 
-
-/* Density of water in kg/m^3 */
-#define WATER_DENSITY (1.0e6)
-
-/* Molar mass of water, in kg/mol */
-#define WATER_MOLAR_MASS (18.01528e3)
-
-/* Avogadro's number */
-#define AVOGADRO (6.022e23)
+/* Radius of beam (m) */
+#define BEAM_RADIUS (1.5e-6)
 
 
 static double lattice_factor(struct threevec q, double ax, double ay, double az,
@@ -99,7 +92,8 @@ static double complex molecule_factor(struct molecule *mol, struct threevec q,
 }
 
 
-double water_intensity(struct threevec q, double en)
+double water_intensity(struct threevec q, double en,
+                       double beam_r, double water_r)
 {
 	double complex fH, fO;
 	double s, modq;
@@ -109,10 +103,6 @@ double water_intensity(struct threevec q, double en)
 	const double rOH = 0.09584e-9;
 	const double rHH = 0.1515e-9;
 
-	/* Dimensions of water column */
-	const double water_r = 0.5e-6;
-	const double beam_r = 1.5e-6;
-
 	/* Volume of water column */
 	const double water_v = M_PI*pow(water_r, 2.0) * 2.0 * beam_r;
 
diff --git a/src/diffraction.h b/src/diffraction.h
index e2994a0b..1e08e116 100644
--- a/src/diffraction.h
+++ b/src/diffraction.h
@@ -20,6 +20,7 @@
 #include "cell.h"
 
 extern void get_diffraction(struct image *image);
-extern double water_intensity(struct threevec q, double en);
+extern double water_intensity(struct threevec q, double en,
+                              double beam_r, double water_r);
 
 #endif	/* DIFFRACTION_H */
diff --git a/src/utils.h b/src/utils.h
index c89466c3..b4b5a58e 100644
--- a/src/utils.h
+++ b/src/utils.h
@@ -36,8 +36,17 @@
 /* Thomson scattering length (m) */
 #define THOMSON_LENGTH (2.81794e-15)
 
+/* Density of water in kg/m^3 */
+#define WATER_DENSITY (1.0e6)
 
-/* --------------------------- Useful datatypes ----------------------------- */
+/* Molar mass of water, in kg/mol */
+#define WATER_MOLAR_MASS (18.01528e3)
+
+/* Avogadro's number */
+#define AVOGADRO (6.022e23)
+
+
+/* ------------------------------ Quaternions ------------------------------- */
 
 struct quaternion
 {
-- 
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