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author | Thomas White <taw27@cam.ac.uk> | 2009-03-04 17:05:42 +0000 |
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committer | Thomas White <taw27@cam.ac.uk> | 2009-03-04 17:05:42 +0000 |
commit | 244303f588f9c4797836e062d0576d85a027ab2a (patch) | |
tree | 250b936e2d82721759aa89d8f2ce35111b81d7e4 /crystal.h |
Initial import
Diffstat (limited to 'crystal.h')
-rw-r--r-- | crystal.h | 33 |
1 files changed, 33 insertions, 0 deletions
diff --git a/crystal.h b/crystal.h new file mode 100644 index 0000000..5c38da8 --- /dev/null +++ b/crystal.h @@ -0,0 +1,33 @@ +/* + * crystal.h + * + * Crystallographic stuff + * + * (c) 2009 Thomas White <taw27@cam.ac.uk> + * + * Triclinator - solve nasty triclinic unit cells + * + */ + +#ifndef CRYSTAL_H +#define CRYSTAL_H + +#define RAD2DEG(a) ((a)*180/M_PI) +#define DEG2RAD(a) ((a)*M_PI/180) + +#include "util.h" + +typedef struct +{ + double a; + double b; + double c; + double al; + double be; + double ga; +} Cell; + +/* Return what the measurement 'val' would have been if the cell were 'cell' */ +extern double crystal_calc(MVal val, Cell cell); + +#endif /* CRYSTAL_H */ |