Commit 0f18ff76 authored by Thomas White's avatar Thomas White
Browse files

uncenter_cell(): Convert R to P

Otherwise, the cell comparison doesn't recognise the cells as the same,
breaking indexing with an R reference cell.

Unfortunately, the resulting cell after comparison by compare_r_c_p
still comes out as P, but that doesn't seem like a big loss.  To get it
strictly correct, we'd need some way of tracking through the information
that the cell got "uncentered" from R to P, even though the matrix is an
identity.
parent d4873dff
......@@ -406,7 +406,7 @@ static IntegerMatrix *centering_transformation(UnitCell *in,
* should go the opposite way to what's written in the first column. */
if ( (cen=='P') || (cen=='R') ) {
*new_centering = cen;
*new_centering = 'P';
*new_latt = lt;
*new_ua = ua;
C = intmat_identity(3);
......
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