diff options
| author | Thomas White <taw@physics.org> | 2013-05-23 12:01:59 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2013-05-27 17:33:15 +0200 |
| commit | 4fd346391387f740c29561257a5af3fdfdd56700 (patch) | |
| tree | 0eee358d475d4ca3bef2d45596fb4de33f71bf1b /libcrystfel/src/geometry.c | |
| parent | 2977589d2201ade9aa02289a54359288af2ff16e (diff) | |
Initial integration stuff
Diffstat (limited to 'libcrystfel/src/geometry.c')
| -rw-r--r-- | libcrystfel/src/geometry.c | 12 |
1 files changed, 7 insertions, 5 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c index efb3f2ce..273ac7f0 100644 --- a/libcrystfel/src/geometry.c +++ b/libcrystfel/src/geometry.c @@ -135,11 +135,13 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, double cet, cez; double pr; double L; + double del; /* Don't predict 000 */ if ( abs(h)+abs(k)+abs(l) == 0 ) return NULL; pr = crystal_get_profile_radius(cryst); + del = image->div + crystal_get_mosaicity(cryst); /* "low" gives the largest Ewald sphere (wavelength short => k large) * "high" gives the smallest Ewald sphere (wavelength long => k small) @@ -152,12 +154,12 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, tl = sqrt(xl*xl + yl*yl); - cet = -sin(image->div/2.0) * khigh; - cez = -cos(image->div/2.0) * khigh; + cet = -sin(del/2.0) * khigh; + cez = -cos(del/2.0) * khigh; rhigh = khigh - distance(cet, cez, tl, zl); /* Loss of precision */ - cet = sin(image->div/2.0) * klow; - cez = -cos(image->div/2.0) * klow; + cet = sin(del/2.0) * klow; + cez = -cos(del/2.0) * klow; rlow = klow - distance(cet, cez, tl, zl); /* Loss of precision */ if ( (signbit(rlow) == signbit(rhigh)) @@ -168,7 +170,7 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, ERROR("Reflection with rlow < rhigh!\n"); ERROR("%3i %3i %3i rlow = %e, rhigh = %e\n", h, k, l, rlow, rhigh); - ERROR("div = %e\n", image->div); + ERROR("div + m = %e\n", del); return NULL; } |