Preparation for new water simulation

1 files changed, 1 insertions, 42 deletions

diff --git a/src/diffraction.c b/src/diffraction.c
index 3d4fa6ea..4ed13709 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -33,10 +33,6 @@
 /* Avogadro's number */
 #define AVOGADRO (6.022e23)
 
-/* Number of slices to divide water column into, where the
- * slices are coplanar with the beam and the cylinder axis */
-#define N_WATER_SLICES 100
-
 
 static double lattice_factor(struct threevec q, double ax, double ay, double az,
                                                 double bx, double by, double bz,
@@ -124,44 +120,7 @@ static double complex molecule_factor(struct molecule *mol, struct threevec q,
 
 static double complex water_factor(struct threevec q, double en)
 {
-	double x;
-	double complex res = 0.0;
-	int n = 0;
-	double s;
-	double molecules_per_m3;
-	double molecules_per_m;
-	const double rc = 0.5e-6; /* Radius of cylinder (m) */
-	const double rb = 1.5e-6; /* Radius of beam (m) */
-
-	/* Density of water molecules */
-	molecules_per_m3 = WATER_DENSITY * (AVOGADRO / WATER_MOLAR_MASS);
-
-	/* Number of water molecules per slice per metre of thickness */
-	molecules_per_m = (2*rb*2*rc) * molecules_per_m3 / N_WATER_SLICES;
-
-	/* s = sin(theta)/lambda = 1/2d = (1/d)/2.0 */
-	s = modulus(q.u, q.v, q.w) / 2.0;
-
-	for ( x=-rc; x<=rc; x+=rc/(N_WATER_SLICES/2) ) {
-
-		double ph;
-		double thickness;
-
-		/* The thickness of a cylinder in a direction parallel
-		 * to the beam.  The cylinder axis is perpendicular to
-		 * the beam */
-		thickness = 2.0 * sqrt((rc*rc)-(x*x));
-
-		ph = q.u*x;
-		res += thickness * (cos(2.0*M_PI*ph) + I*sin(2.0*M_PI*ph));
-		n++;
-
-	}
-	res *= (get_sfac("O", s, en) + 2.0*get_sfac("H", s, en))
-	       * molecules_per_m;
-
-	/* Correct for sampling of integration */
-	return (res/(double)n) * (2.0*rc);
+	return 0.0;
 }