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authorThomas White <taw@physics.org>2014-03-04 18:35:04 +0100
committerThomas White <taw@physics.org>2014-03-04 18:35:04 +0100
commitb1f4e521baf644069f02dd9efe869e63aed9225e (patch)
tree142b1086fa5b49473e1d54cb9a201fd31076a505
parent079aceb278183a61f29a31b42dca094ea08c6a67 (diff)
Fix the algorithm
-rw-r--r--src/ambigator.c17
1 files changed, 12 insertions, 5 deletions
diff --git a/src/ambigator.c b/src/ambigator.c
index 6580b97f..e18636ff 100644
--- a/src/ambigator.c
+++ b/src/ambigator.c
@@ -219,9 +219,9 @@ static float corr(struct flist *a, struct flist *b, int *pn)
t1 = s_x2 - s_x*s_x / n;
t2 = s_y2 - s_y*s_y / n;
- if ( (t1 < 0.0) || (t2 <= 0.0) ) return 0.0;
+ if ( (t1 <= 0.0) || (t2 <= 0.0) ) return 0.0;
- return ((s_xy - s_x*s_y)/n)/sqrt(t1*t2);
+ return (s_xy - s_x*s_y/n) / sqrt(t1*t2);
}
@@ -230,6 +230,8 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb,
{
int i;
int nch = 0;
+ float mf = 0.0;
+ int nmf = 0;
for ( i=0; i<n_crystals; i++ ) {
@@ -244,10 +246,11 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb,
float cc;
int n;
+ if ( i == j ) continue;
+
cc = corr(crystals[i], crystals[j], &n);
if ( n < 3 ) continue;
- if ( i == j ) continue;
if ( assignments[i] == assignments[j] ) {
f += cc;
@@ -261,8 +264,12 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb,
f /= p;
g /= q;
+ if ( (p==0) || (q==0) ) continue;
+
+ mf += f;
+ nmf++;
- if ( f > g ) {
+ if ( f < g ) {
assignments[i] = 1 - assignments[i];
nch++;
}
@@ -271,7 +278,7 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb,
}
- STATUS("Changed %i assignments this time.\n", nch);
+ STATUS("Mean f = %f, changed %i assignments this time.\n", mf/nmf, nch);
}