diff options
Diffstat (limited to 'src/diffraction.c')
| -rw-r--r-- | src/diffraction.c | 10 |
1 files changed, 5 insertions, 5 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index ce4e47ee..3d4fa6ea 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -130,19 +130,19 @@ static double complex water_factor(struct threevec q, double en) double s; double molecules_per_m3; double molecules_per_m; - const double rc = 0.5e-6; /* Radius of cylinder */ - const double rb = 1.5e-6; /* Radius of beam */ + 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 */ + /* 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) ) { + for ( x=-rc; x<=rc; x+=rc/(N_WATER_SLICES/2) ) { double ph; double thickness; @@ -161,7 +161,7 @@ static double complex water_factor(struct threevec q, double en) * molecules_per_m; /* Correct for sampling of integration */ - return (res/n) * (2*rc); + return (res/(double)n) * (2.0*rc); } |