From a3efcb98a5c165307cc28749e26bffc12ebbf245 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 13 Oct 2009 19:02:20 +0200 Subject: Image, feature and unit cell infrastructure Brought across from DTR and Synth3D --- src/cell.h | 55 +++++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 55 insertions(+) create mode 100644 src/cell.h (limited to 'src/cell.h') diff --git a/src/cell.h b/src/cell.h new file mode 100644 index 00000000..e99c88df --- /dev/null +++ b/src/cell.h @@ -0,0 +1,55 @@ +/* + * cell.h + * + * Unit Cell Calculations + * + * (c) 2007-2009 Thomas White + * + * template_index - Indexing diffraction patterns by template matching + * + */ + +#ifndef CELL_H +#define CELL_H + +#ifdef HAVE_CONFIG_H +#include +#endif + +typedef struct { + + /* Crystallographic representation */ + double a; /* nm */ + double b; /* nm */ + double c; /* nm */ + double alpha; /* Radians */ + double beta; /* Radians */ + double gamma; /* Radians */ + + /* Cartesian representation */ + double ax; double bx; double cx; + double ay; double by; double cy; + double az; double bz; double cz; + + /* Cartesian representation of reciprocal axes */ + double axs; double bxs; double cxs; + double ays; double bys; double cys; + double azs; double bzs; double czs; + +} UnitCell; + +extern UnitCell *cell_new(void); + +/* Lengths in nm, angles in radians */ +extern UnitCell *cell_new_from_parameters(double a, double b, double c, + double alpha, double beta, double gamma); + +extern void cell_set_cartesian(UnitCell *cell, + double ax, double ay, double az, + double bx, double by, double bz, + double cx, double cy, double cz); + +extern void cell_set_parameters(UnitCell *cell, double a, double b, double c, + double alpha, double beta, double gamma); + +#endif /* CELL_H */ -- cgit v1.2.3