From e09a64256a29547943a432ac5d41819835f8483a Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 30 Jul 2010 18:44:04 +0200 Subject: Add facetron program for profile fitting and post-refinement --- src/cell.h | 11 +++++++++++ 1 file changed, 11 insertions(+) (limited to 'src/cell.h') diff --git a/src/cell.h b/src/cell.h index ab67a594..113e6512 100644 --- a/src/cell.h +++ b/src/cell.h @@ -16,6 +16,14 @@ #include #endif +/* A 3D vector in reciprocal space */ +struct rvec +{ + double u; + double v; + double w; +}; + typedef struct _unitcell UnitCell; extern UnitCell *cell_new(void); @@ -25,6 +33,9 @@ extern UnitCell *cell_new_from_cell(UnitCell *orig); extern UnitCell *cell_new_from_parameters(double a, double b, double c, double alpha, double beta, double gamma); +extern UnitCell *cell_new_from_axes(struct rvec as, struct rvec bs, + struct rvec cs); + extern void cell_set_cartesian(UnitCell *cell, double ax, double ay, double az, double bx, double by, double bz, -- cgit v1.2.3