diff options
author | Thomas White <taw@physics.org> | 2011-05-17 14:59:41 +0200 |
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committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:26 +0100 |
commit | c9b3fdc49b0276fdfc4adc88a53292b838d311c9 (patch) | |
tree | bdb2ef7b41ab7224bd3ba1a8dc04e6c7f902f271 | |
parent | b28d2220efd74daa4052733feaf5074633ee5213 (diff) |
cell_new_from_cell() should preserve orientation
-rw-r--r-- | src/cell.c | 6 |
1 files changed, 3 insertions, 3 deletions
@@ -208,12 +208,12 @@ UnitCell *cell_new_from_axes(struct rvec as, struct rvec bs, struct rvec cs) UnitCell *cell_new_from_cell(UnitCell *orig) { UnitCell *new; - double a, b, c, al, be, ga; + double ax, ay, az, bx, by, bz, cx, cy, cz; new = cell_new(); - cell_get_parameters(orig, &a, &b, &c, &al, &be, &ga); - cell_set_parameters(new, a, b, c, al, be, ga); + cell_get_cartesian(orig, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); + cell_set_cartesian(new, ax, ay, az, bx, by, bz, cx, cy, cz); cell_set_pointgroup(new, orig->pointgroup); cell_set_spacegroup(new, orig->spacegroup); |