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/*
* utils.h
*
* Utility stuff
*
* (c) 2006-2009 Thomas White <thomas.white@desy.de>
*
* pattern_sim - Simulate diffraction patterns from small crystals
*
*/
#ifndef UTILS_H
#define UTILS_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <math.h>
#include <complex.h>
#include <string.h>
#include <stdlib.h>
/* 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)
/* Maxmimum index to go up to */
#define INDMAX 40
#define IDIM (INDMAX*2 +1)
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);
#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)
static inline void integrate_reflection(double complex *ref, signed int h,
signed int k, signed int l,
double complex i)
{
int idx;
if ( h < 0 ) h += IDIM;
if ( k < 0 ) k += IDIM;
if ( l < 0 ) l += IDIM;
idx = h + (IDIM*k) + (IDIM*IDIM*l);
ref[idx] += i;
}
static inline double complex get_integral(double complex *ref, signed int h,
signed int k, signed int l)
{
int idx;
if ( (abs(h) > INDMAX) || (abs(k) > INDMAX) || (abs(l) > INDMAX) ) {
printf("\nReflection %i %i %i is out of range!\n", h, k, l);
printf("You need to re-configure INDMAX, delete the reflection"
" cache file and re-run.\n");
exit(1);
}
if ( h < 0 ) h += IDIM;
if ( k < 0 ) k += IDIM;
if ( l < 0 ) l += IDIM;
idx = h + (IDIM*k) + (IDIM*IDIM*l);
return ref[idx];
}
static inline double complex *reflist_new(void)
{
double complex *r;
size_t r_size;
r_size = IDIM*IDIM*IDIM*sizeof(double complex);
r = malloc(r_size);
memset(r, 0, r_size);
return r;
}
#endif /* UTILS_H */
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