diff options
| author | Thomas White <taw@physics.org> | 2011-06-16 17:38:45 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:29 +0100 |
| commit | c5b6900196575de9bd649407351b041869ddfed4 (patch) | |
| tree | d6d68ea538b1516bdad7b3c699098948f80ba5a6 | |
| parent | 65305f9f5064f0537f365208b6b750e4e6d7a9cf (diff) | |
WIP on scaling
| -rw-r--r-- | src/hrs-scaling.c | 7 | ||||
| -rw-r--r-- | src/partial_sim.c | 6 |
2 files changed, 11 insertions, 2 deletions
diff --git a/src/hrs-scaling.c b/src/hrs-scaling.c index 1d11e402..0876e448 100644 --- a/src/hrs-scaling.c +++ b/src/hrs-scaling.c @@ -91,7 +91,7 @@ static void s_uhavha(signed int hat, signed int kat, signed int lat, if ( !get_scalable(refl) ) continue; ic = get_intensity(refl) / get_partiality(refl); - sigi = sqrt(fabs(ic)); /* FIXME */ + sigi = fabs(ic)/10.0; /* FIXME */ uha_val += 1.0 / pow(sigi, 2.0); vha_val += ic / pow(sigi, 2.0); @@ -353,6 +353,9 @@ static double iterate_scale(struct image *images, int n, images[frame].osf += shift; + STATUS("Shift %i: %5.2f: -> %5.2f\n", + frame, shift, images[frame].osf); + if ( fabs(shift) > fabs(max_shift) ) { max_shift = fabs(shift); } @@ -461,7 +464,7 @@ RefList *scale_intensities(struct image *images, int n, const char *sym, STATUS("Scaling iteration %2i: max shift = %5.2f\n", i, max_shift); i++; - normalise_osfs(images, n); + //normalise_osfs(images, n); } while ( (max_shift > 0.01) && (i < MAX_CYCLES) ); diff --git a/src/partial_sim.c b/src/partial_sim.c index d9d7fc52..d089640b 100644 --- a/src/partial_sim.c +++ b/src/partial_sim.c @@ -61,6 +61,7 @@ static void calculate_partials(RefList *partial, double osf, { Reflection *refl; RefListIterator *iter; + int first = 1; for ( refl = first_refl(partial, &iter); refl != NULL; @@ -74,6 +75,7 @@ static void calculate_partials(RefList *partial, double osf, get_indices(refl, &h, &k, &l); get_asymm(h, k, l, &h, &k, &l, sym); p = get_partiality(refl); + p = 1.0; /* FIXME!!! */ rfull = find_refl(full, h, k, l); if ( rfull == NULL ) { @@ -83,6 +85,9 @@ static void calculate_partials(RefList *partial, double osf, set_int(refl, Ip); } + if ( !first ) set_redundancy(refl, 0); + first = 0; + } } @@ -275,6 +280,7 @@ int main(int argc, char *argv[]) } else { osf = 2.0; } + STATUS("Image %i scale factor %f\n", i, osf); /* Set up a random orientation */ orientation = random_quaternion(); |