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authorThomas White <taw@physics.org>2019-10-11 10:54:25 +0200
committerThomas White <taw@physics.org>2019-10-11 10:54:25 +0200
commitbff069f97ad705b44e0432f93597a874d19baa8a (patch)
tree7947825fb12df50d35a6f91bace732c8d0b7a980
parent71809b358a249e9d98e6102e1d78174595d4dedc (diff)
Copy target cell's lattice type and unique axis into cell from indexing, after comparison
-rw-r--r--libcrystfel/src/index.c11
1 files changed, 11 insertions, 0 deletions
diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c
index 016767a9..d24e8355 100644
--- a/libcrystfel/src/index.c
+++ b/libcrystfel/src/index.c
@@ -587,10 +587,21 @@ static int check_cell(IndexingFlags flags, Crystal *cr, UnitCell *target,
tolerance, &rm);
if ( out != NULL ) {
+
/* Replace crystal's cell with new one */
cell_free(crystal_get_cell(cr));
crystal_set_cell(cr, out);
rtnl_mtx_free(rm);
+
+ /* Copy the target cell's lattice type and unique axis
+ * onto the crystal's cell. The cell from compare_r_c_p doesn't
+ * (yet) have the right values, because cell_transform_rational
+ * don't know how to determine them. The cell should be close
+ * to the target, of course, so this is less bad than leaving
+ * the lattice type as triclinic. */
+ cell_set_lattice_type(out, cell_get_lattice_type(target));
+ cell_set_unique_axis(out, cell_get_unique_axis(target));
+
return 0;
}