diff options
Diffstat (limited to 'libcrystfel/src/cell.c')
-rw-r--r-- | libcrystfel/src/cell.c | 15 |
1 files changed, 15 insertions, 0 deletions
diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c index 6b1d58c7..e785c1c8 100644 --- a/libcrystfel/src/cell.c +++ b/libcrystfel/src/cell.c @@ -579,6 +579,21 @@ LatticeType cell_get_lattice_type(UnitCell *cell) } +struct g6 cell_get_G6(UnitCell *cell) +{ + double a, b, c, al, be, ga; + struct g6 g; + cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga); + g.A = a*a; + g.B = b*b; + g.C = c*c; + g.D = 2.0*b*c*cos(al); + g.E = 2.0*a*c*cos(be); + g.F = 2.0*a*b*cos(ga); + return g; +} + + char cell_get_unique_axis(UnitCell *cell) { return cell->unique_axis; |