/* * crystal.h * * Crystallographic stuff * * (c) 2009 Thomas White * * 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 */