From 1b4fa114decd9c36324feed00296cb40088a9062 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Mon, 15 Nov 2010 16:17:02 +0100 Subject: Zap quats The "orientation" quaternion should not rotate the Ewald sphere, but the crystal. This cleans things up a little, removing "orientation" from "struct image". --- src/cell.h | 4 ++++ 1 file changed, 4 insertions(+) (limited to 'src/cell.h') diff --git a/src/cell.h b/src/cell.h index c5b5d888..5a6bfda9 100644 --- a/src/cell.h +++ b/src/cell.h @@ -16,6 +16,8 @@ #include #endif +#include "utils.h" + /* A 3D vector in reciprocal space */ struct rvec { @@ -73,6 +75,8 @@ extern const char *cell_get_pointgroup(UnitCell *cell); extern double resolution(UnitCell *cell, signed int h, signed int k, signed int l); +extern UnitCell *cell_rotate(UnitCell *in, struct quaternion quat); + extern void cell_print(UnitCell *cell); extern UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose, -- cgit v1.2.3