diff options
Diffstat (limited to 'data/diffraction.cl')
| -rw-r--r-- | data/diffraction.cl | 43 |
1 files changed, 43 insertions, 0 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl index d128446e..75933927 100644 --- a/data/diffraction.cl +++ b/data/diffraction.cl @@ -205,6 +205,49 @@ float molecule_factor(global float *intensities, global float *flags, val += lookup_flagged_intensity(intensities, flags, i, k, l); #endif /* PG6MMM */ + #ifdef PG23 + val += lookup_flagged_intensity(intensities, flags, h, k, l); + val += lookup_flagged_intensity(intensities, flags, -h, -k, l); + val += lookup_flagged_intensity(intensities, flags, -h, k, -l); + val += lookup_flagged_intensity(intensities, flags, h, -k, -l); + val += lookup_flagged_intensity(intensities, flags, k, l, h); + val += lookup_flagged_intensity(intensities, flags, l, h, k); + val += lookup_flagged_intensity(intensities, flags, -k, -l, h); + val += lookup_flagged_intensity(intensities, flags, -l, -h, k); + val += lookup_flagged_intensity(intensities, flags, -k, l, -h); + val += lookup_flagged_intensity(intensities, flags, -l, h, -k); + val += lookup_flagged_intensity(intensities, flags, k, -l, -h); + val += lookup_flagged_intensity(intensities, flags, l, -h, -k); + #endif /* PG23 */ + + #ifdef PGM3 + val += lookup_flagged_intensity(intensities, flags, h, k, l); + val += lookup_flagged_intensity(intensities, flags, -h, -k, l); + val += lookup_flagged_intensity(intensities, flags, -h, k, -l); + val += lookup_flagged_intensity(intensities, flags, h, -k, -l); + val += lookup_flagged_intensity(intensities, flags, k, l, h); + val += lookup_flagged_intensity(intensities, flags, l, h, k); + val += lookup_flagged_intensity(intensities, flags, -k, -l, h); + val += lookup_flagged_intensity(intensities, flags, -l, -h, k); + val += lookup_flagged_intensity(intensities, flags, -k, l, -h); + val += lookup_flagged_intensity(intensities, flags, -l, h, -k); + val += lookup_flagged_intensity(intensities, flags, k, -l, -h); + val += lookup_flagged_intensity(intensities, flags, l, -h, -k); + + val += lookup_flagged_intensity(intensities, flags, -h, -k, -l); + val += lookup_flagged_intensity(intensities, flags, h, k, -l); + val += lookup_flagged_intensity(intensities, flags, h, -k, l); + val += lookup_flagged_intensity(intensities, flags, -h, k, l); + val += lookup_flagged_intensity(intensities, flags, -k, -l, -h); + val += lookup_flagged_intensity(intensities, flags, -l, -h, -k); + val += lookup_flagged_intensity(intensities, flags, k, l, -h); + val += lookup_flagged_intensity(intensities, flags, l, h, -k); + val += lookup_flagged_intensity(intensities, flags, k, -l, h); + val += lookup_flagged_intensity(intensities, flags, l, -h, k); + val += lookup_flagged_intensity(intensities, flags, -k, l, h); + val += lookup_flagged_intensity(intensities, flags, -l, h, k); + #endif /* PGM3 */ + return val; #endif /* FLAT_INTENSITIIES */ } |