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| author | Thomas White <taw@physics.org> | 2019-08-23 12:21:00 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-08-23 12:21:00 +0200 |
| commit | 184a21098ac1325c2c02a24ac315584a464532a7 (patch) | |
| tree | bf866c4dd9579e431c7797e782c0bee846575aae | |
| parent | 4efec1fa1dc08f4472531ef5b24de4d4e1b74aa9 (diff) | |
Fix Niggli reduction logic
| -rw-r--r-- | libcrystfel/src/cell-utils.c | 7 |
1 files changed, 5 insertions, 2 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index 2af3f293..6e7cebb5 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -1893,9 +1893,10 @@ IntegerMatrix *reduce_g6(struct g6 g, double epsrel) debug_lattice(g, eps, 1); + } - } else if ( GT(g.B, g.C) - || (EQ(g.B, g.C) && GT(fabs(g.E), fabs(g.F))) ) + if ( GT(g.B, g.C) + || (EQ(g.B, g.C) && GT(fabs(g.E), fabs(g.F))) ) { /* Swap b and c */ double temp; @@ -1909,6 +1910,8 @@ IntegerMatrix *reduce_g6(struct g6 g, double epsrel) mult_in_place(T, M); debug_lattice(g, eps, 2); + + /* ..."and go to 1." */ done_s1s2 = 0; } |