From 0f18ff76a3d1f5979db9234c68662c86238706b5 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 13 Mar 2020 15:52:01 +0100 Subject: 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. --- libcrystfel/src/cell-utils.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'libcrystfel') diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index 78488d1b..e9e7aaec 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -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); -- cgit v1.2.3