diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/ambigator.c | 17 |
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); } |