From 4e1e2ef4472e28a146e6c83d053f1fc4d2419f88 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 14 Oct 2009 17:35:18 +0200 Subject: Calculate reflections using reciprocal cell --- src/cell.h | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) (limited to 'src/cell.h') diff --git a/src/cell.h b/src/cell.h index cd31aa66..196b9521 100644 --- a/src/cell.h +++ b/src/cell.h @@ -19,9 +19,9 @@ typedef struct { /* Crystallographic representation */ - double a; /* nm */ - double b; /* nm */ - double c; /* nm */ + double a; /* m */ + double b; /* m */ + double c; /* m */ double alpha; /* Radians */ double beta; /* Radians */ double gamma; /* Radians */ @@ -40,7 +40,7 @@ typedef struct { extern UnitCell *cell_new(void); -/* Lengths in nm, angles in radians */ +/* Lengths in m, angles in radians */ extern UnitCell *cell_new_from_parameters(double a, double b, double c, double alpha, double beta, double gamma); @@ -57,4 +57,9 @@ extern void cell_get_cartesian(UnitCell *cell, double *bx, double *by, double *bz, double *cx, double *cy, double *cz); +extern void cell_get_reciprocal(UnitCell *cell, + double *asx, double *asy, double *asz, + double *bsx, double *bsy, double *bsz, + double *csx, double *csy, double *csz); + #endif /* CELL_H */ -- cgit v1.2.3