diff options
| author | Thomas White <taw@physics.org> | 2019-08-14 14:06:22 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-08-16 10:27:00 +0200 |
| commit | 9524362d96c79f3a396686b9400e7baed4f4967a (patch) | |
| tree | dfc4d1d042866116953e021dbe532a03383ef19d /libcrystfel | |
| parent | 9a510740e673a9b9ce82e08c2e2ccb4c3a36ebfd (diff) | |
g6_distance: Take UnitCell
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/cell-utils.c | 17 |
1 files changed, 7 insertions, 10 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index b207afe7..b7662fb3 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -1931,9 +1931,10 @@ static Rational *find_candidates(double len, double *a, double *b, double *c, } -static void g6_components(double *g6, double a, double b, double c, - double al, double be, double ga) +void g6_components(double *g6, UnitCell *cell) { + double a, b, c, al, be, ga; + cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga); g6[0] = a*a; g6[1] = b*b; g6[2] = c*c; @@ -1943,16 +1944,13 @@ static void g6_components(double *g6, double a, double b, double c, } -static double g6_distance(double a1, double b1, double c1, - double al1, double be1, double ga1, - double a2, double b2, double c2, - double al2, double be2, double ga2) +static double g6_distance(UnitCell *cell1, UnitCell *cell2) { double g1[6], g2[6]; int i; double total = 0.0; - g6_components(g1, a1, b1, c1, al1, be1, ga1); - g6_components(g2, a2, b2, c2, al2, be2, ga2); + g6_components(g1, cell1); + g6_components(g2, cell2); for ( i=0; i<6; i++ ) { total += (g1[i]-g2[i])*(g1[i]-g2[i]); } @@ -2103,8 +2101,7 @@ int compare_reindexed_cell_parameters(UnitCell *cell_in, UnitCell *reference_in, continue; } - dist = g6_distance(at, bt, ct, alt, bet, gat, - a, b, c, al, be, ga); + dist = g6_distance(test, reference); if ( dist < min_dist ) { min_dist = dist; rtnl_mtx_mtxmult(M, CB, MCB); |