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authorThomas White <taw@physics.org>2011-06-16 17:38:45 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:29 +0100
commitc5b6900196575de9bd649407351b041869ddfed4 (patch)
treed6d68ea538b1516bdad7b3c699098948f80ba5a6
parent65305f9f5064f0537f365208b6b750e4e6d7a9cf (diff)
WIP on scaling
-rw-r--r--src/hrs-scaling.c7
-rw-r--r--src/partial_sim.c6
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();