diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/get_hkl.c | 18 |
1 files changed, 15 insertions, 3 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index 5e34e185..7ce753c3 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -181,13 +181,25 @@ int main(int argc, char *argv[]) for ( k=-INDMAX; k<=INDMAX; k++ ) { for ( l=-INDMAX; l<=INDMAX; l++ ) { - double a, b; + double a, b, c, d; + double t; + + if ( abs(h+k) > INDMAX ) { + set_intensity(ideal_ref, h, k, l, 0.0); + continue; + } a = lookup_intensity(ideal_ref, h, k, l); b = lookup_intensity(ideal_ref, k, h, -l); + c = lookup_intensity(ideal_ref, -(h+k), k, -l); + d = lookup_intensity(ideal_ref, -(h+k), h, l); + + t = (a+b+c+d)/4.0; - set_intensity(ideal_ref, h, k, l, (a+b)/2.0); - set_intensity(ideal_ref, k, h, -l, (a+b)/2.0); + set_intensity(ideal_ref, h, k, l, t); + set_intensity(ideal_ref, k, h, -l, t); + set_intensity(ideal_ref, -(h+k), h, l, t); + set_intensity(ideal_ref, -(h+k), k, -l, t); } } |