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/*
* image.h
*
* Handle images and image features
*
* (c) 2006-2009 Thomas White <thomas.white@desy.de>
*
* pattern_sim - Simulate diffraction patterns from small crystals
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#ifndef IMAGE_H
#define IMAGE_H
#include <stdint.h>
#include <complex.h>
/* How is the scaling of the image described? */
typedef enum {
FORMULATION_CLEN,
FORMULATION_PIXELSIZE
} FormulationMode;
/* Structure describing a feature in an image */
struct imagefeature {
struct image *parent;
double x;
double y;
double intensity;
/* Partner for this feature (in another feature list) or NULL */
struct imagefeature_struct *partner;
/* Distance between this feature and its partner, if any. */
double partner_d;
};
/* An opaque type representing a list of image features */
typedef struct _imagefeaturelist ImageFeatureList;
/* A 3D vector in reciprocal space */
struct threevec
{
double u;
double v;
double w;
};
struct mol_species
{
char species[4]; /* Species name */
int n_atoms; /* Number of atoms of this species */
float x[32*1024];
float y[32*1024];
float z[32*1024];
float occ[32*1024];
float B[32*1024];
};
struct molecule
{
int n_species;
struct mol_species *species[32];
};
/* Structure describing an image */
struct image {
uint16_t *data;
complex *sfacs;
struct threevec *qvecs;
double *twotheta;
struct molecule *molecule;
/* Radians. Defines where the pattern lies in reciprocal space */
double tilt;
/* Radians. Defines where the pattern lies in reciprocal space */
double omega;
/* Image parameters can be given as camera length or pixel size.
* If FORMULATION_CLEN, then camera_len and resolution must be given.
* If FORMULATION_PIXELSIZE, then pixel_size only is needed.*/
FormulationMode fmode;
double pixel_size;
double camera_len;
double resolution; /* pixels per metre */
/* Wavelength must always be given */
double lambda; /* Wavelength in m */
double xray_energy; /* X-ray energy
* in J (per photon) */
int width;
int height;
double x_centre;
double y_centre;
ImageFeatureList *features; /* "Experimental" features */
ImageFeatureList *rflist; /* "Predicted" features */
};
/* An opaque type representing a list of images */
typedef struct _imagelist ImageList;
/* Image lists */
extern ImageList *image_list_new(void);
extern int image_add(ImageList *list, struct image *image);
/* Feature lists */
extern ImageFeatureList *image_feature_list_new(void);
extern void image_feature_list_free(ImageFeatureList *flist);
extern void image_add_feature(ImageFeatureList *flist, double x, double y,
struct image *parent, double intensity);
extern struct imagefeature *image_feature_closest(ImageFeatureList *flist,
double x, double y, double *d,
int *idx);
extern int image_feature_count(ImageFeatureList *flist);
extern struct imagefeature *image_get_feature(ImageFeatureList *flist, int idx);
#endif /* IMAGE_H */
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