diff options
Diffstat (limited to 'src/cell.h')
| -rw-r--r-- | src/cell.h | 11 |
1 files changed, 11 insertions, 0 deletions
@@ -16,6 +16,14 @@ #include <config.h> #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, |