diff options
author | Thomas White <taw@physics.org> | 2010-06-21 17:15:33 +0200 |
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committer | Thomas White <taw@physics.org> | 2012-02-22 15:26:50 +0100 |
commit | 3a2152e5ea7980575d5a66b4c29e2e779d2c30cb (patch) | |
tree | 6508ecfd1b78ff60dcceeaf219b3d76416fbab4f /src/cell.c | |
parent | d82e45831a94cae99730ad8f7ff48b4cf8e1cfb9 (diff) |
Make UnitCell opaque
Diffstat (limited to 'src/cell.c')
-rw-r--r-- | src/cell.c | 21 |
1 files changed, 21 insertions, 0 deletions
@@ -28,6 +28,27 @@ /* Weighting factor of lengths relative to angles */ #define LWEIGHT (10.0e-9) +struct _unitcell { + + /* Crystallographic representation */ + double a; /* m */ + double b; /* m */ + double c; /* m */ + 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; + +}; /* Update the cartesian representation from the crystallographic one */ static void cell_update_cartesian(UnitCell *cell) |