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authorThomas White <taw@physics.org>2017-09-22 11:39:28 +0200
committerThomas White <taw@physics.org>2017-09-22 11:39:28 +0200
commite214a0bbb650d036fc08130e6d6104008ecdcb48 (patch)
tree25d22fb4a0be22421cc7ed2c7457e28f3d98aa1f /libcrystfel
parent5524b7db01c53b42fb0290d1db289ec99bd3a09f (diff)
cell_new_from_cell(): Don't try to duplicate non-existent parameters
Diffstat (limited to 'libcrystfel')
-rw-r--r--libcrystfel/src/cell.c41
1 files changed, 32 insertions, 9 deletions
diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c
index 3de61073..213d891c 100644
--- a/libcrystfel/src/cell.c
+++ b/libcrystfel/src/cell.c
@@ -246,18 +246,41 @@ UnitCell *cell_new_from_direct_axes(struct rvec a, struct rvec b, struct rvec c)
UnitCell *cell_new_from_cell(UnitCell *orig)
{
- UnitCell *new;
- double ax, ay, az, bx, by, bz, cx, cy, cz;
+ UnitCell *n;
+
+ n = cell_new();
+
+ switch ( orig->rep ) {
+
+ case CELL_REP_CRYST :
+ n->a = orig->a; n->b = orig->b; n->c = orig->c;
+ n->alpha = orig->alpha; n->beta = orig->beta; n->gamma = orig->gamma;
+ break;
- new = cell_new();
+ case CELL_REP_CART :
+ n->ax = orig->ax; n->bx = orig->bx; n->cx = orig->cx;
+ n->ay = orig->ay; n->by = orig->by; n->cy = orig->cy;
+ n->az = orig->az; n->bz = orig->bz; n->cz = orig->cz;
+ break;
+
+ case CELL_REP_RECIP :
+ n->axs = orig->axs; n->bxs = orig->bxs; n->cxs = orig->cxs;
+ n->ays = orig->ays; n->bys = orig->bys; n->cys = orig->cys;
+ n->azs = orig->azs; n->bzs = orig->bzs; n->czs = orig->czs;
+ break;
+
+ default :
+ ERROR("Bad cell representation %i\n", orig->rep);
+
+ }
- 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_lattice_type(new, orig->lattice_type);
- cell_set_centering(new, orig->centering);
- cell_set_unique_axis(new, orig->unique_axis);
+ n->lattice_type = orig->lattice_type;
+ n->centering = orig->centering;
+ n->unique_axis = orig->unique_axis;
+ n->rep = orig->rep;
+ n->have_parameters = orig->have_parameters;
- return new;
+ return n;
}