From 500b2962f771103cbaccb7c12573f6a54dca0a93 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 22 Feb 2018 16:06:18 +0100 Subject: Take modulus of profile radius A bit nasty, but avoids lots of NANs --- libcrystfel/src/geometry.c | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'libcrystfel/src/geometry.c') diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c index aaa8b06c..16a92102 100644 --- a/libcrystfel/src/geometry.c +++ b/libcrystfel/src/geometry.c @@ -253,7 +253,7 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, /* Calculate the limiting wavelengths, lambda0 and lambda1 * = 1/k0 and 1/k1 respectively */ - R = crystal_get_profile_radius(cryst); + R = fabs(crystal_get_profile_radius(cryst)); top = R*R - xl*xl - yl*yl - zl*zl; k0 = top/(2.0*(zl+R)); khalf = (- xl*xl - yl*yl - zl*zl) / (2.0*zl); @@ -671,7 +671,7 @@ static void ginn_spectrum_partialities(Crystal *cryst) &bsx, &bsy, &bsz, &csx, &csy, &csz); - r0 = crystal_get_profile_radius(cryst); + r0 = fabs(crystal_get_profile_radius(cryst)); m = crystal_get_mosaicity(cryst); lambda = image->lambda; sig = image->bw * lambda; -- cgit v1.2.3