/* * utils.h * * Utility stuff * * (c) 2006-2009 Thomas White * * pattern_sim - Simulate diffraction patterns from small crystals * */ #ifndef UTILS_H #define UTILS_H #ifdef HAVE_CONFIG_H #include #endif #include #include #include #include /* -------------------------- Fundamental constants ------------------------ */ /* Electron charge in C */ #define ELECTRON_CHARGE (1.6021773e-19) /* Planck's constant (Js) */ #define PLANCK (6.62606896e-34) /* Speed of light in vacuo (m/s) */ #define C_VACUO (299792458) /* Thomson scattering length (m) */ #define THOMSON_LENGTH (2.81794e-15) /* --------------------------- Useful datatypes ----------------------------- */ struct quaternion { double w; double x; double y; double z; }; extern unsigned int biggest(signed int a, signed int b); extern unsigned int smallest(signed int a, signed int b); extern double distance(double x1, double y1, double x2, double y2); extern double modulus(double x, double y, double z); extern double modulus_squared(double x, double y, double z); extern double angle_between(double x1, double y1, double z1, double x2, double y2, double z2); extern double angle_between_d(double x1, double y1, double z1, double x2, double y2, double z2); extern double lambda(double voltage); extern double distance3d(double x1, double y1, double z1, double x2, double y2, double z2); extern size_t skipspace(const char *s); extern void chomp(char *s); extern int sign(double a); extern void mapping_rotate(double x, double y, double z, double *ddx, double *ddy, double *ddz, double omega, double tilt); extern void progress_bar(int val, int total); /* ----------------------------- Useful macros ------------------------------ */ #define rad2deg(a) ((a)*180/M_PI) #define deg2rad(a) ((a)*M_PI/180) #define is_odd(a) ((a)%2==1) /* Photon energy (J) to wavelength (m) */ #define ph_en_to_lambda(a) ((PLANCK*C_VACUO)/(a)) /* Photon wavelength (m) to energy (J) */ #define ph_lambda_to_en(a) ((PLANCK*C_VACUO)/(a)) /* eV to Joules */ #define eV_to_J(a) ((a)*ELECTRON_CHARGE) /* Joules to eV */ #define J_to_eV(a) ((a)/ELECTRON_CHARGE) /* -------------------- Indexed lists for specified types ------------------- */ /* Maxmimum index to hold values up to (can be increased if necessary) */ #define INDMAX 40 /* Array size */ #define IDIM (INDMAX*2 +1) /* Create functions for storing reflection intensities indexed as h,k,l */ #define LABEL(x) x##_intensity #define TYPE double #include "list_tmp.h" /* As above, but for complex structure factors */ #define LABEL(x) x##_sfac #define TYPE double complex #include "list_tmp.h" /* As above, but for (unsigned) integer counts */ #define LABEL(x) x##_count #define TYPE unsigned int #include "list_tmp.h" #endif /* UTILS_H */