Commit bff069f9 authored by Thomas White's avatar Thomas White
Browse files

Copy target cell's lattice type and unique axis into cell from indexing, after comparison

parent 71809b35
......@@ -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;
}
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment