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/*
* reflections.h
*
* Data structures in 3D space
*
* (c) 2007 Thomas White <taw27@cam.ac.uk>
*
* dtr - Diffraction Tomography Reconstruction
*
*/
#ifndef REFLECTION_H
#define REFLECTION_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
typedef enum {
REFLECTION_NORMAL, /* Measured - expressed as x, y, z position */
REFLECTION_GENERATED, /* Generated and intensity-measured - expressed as h, k, l index */
REFLECTION_MARKER,
REFLECTION_VECTOR_MARKER_1,
REFLECTION_VECTOR_MARKER_2,
REFLECTION_VECTOR_MARKER_3
} ReflectionType;
typedef struct reflection_struct {
double x;
double y;
double z;
double intensity;
signed int h;
signed int k;
signed int l;
ReflectionType type;
/* Stuff used when finding bases */
int found; /* This reflection has been used in the seed-finding process */
int lfom; /* Line FoM for this seed */
struct reflection_struct *next; /* MUST BE LAST in order for caching to work */
} Reflection;
typedef struct reflectionlist_struct {
Reflection *reflections;
Reflection *last_reflection;
unsigned int n_reflections;
unsigned int list_capped;
} ReflectionList;
extern ReflectionList *reflectionlist_new(void);
extern void reflectionlist_clear(ReflectionList *reflectionlist);
extern void reflectionlist_clear_markers(ReflectionList *reflectionlist);
extern void reflectionlist_free(ReflectionList *reflectionlist);
extern Reflection *reflection_add(ReflectionList *reflectionlist, double x, double y, double z, double intensity, ReflectionType type);
extern double reflectionlist_largest_g(ReflectionList *reflectionlist);
extern Reflection *reflectionlist_find_nearest(ReflectionList *reflectionlist, double x, double y, double z);
extern Reflection *reflectionlist_find_nearest_longer_unknown(ReflectionList *reflectionlist, double x, double y, double z, double min_distance);
extern Reflection *reflectionlist_find_nearest_type(ReflectionList *reflectionlist, double x, double y, double z, ReflectionType type);
#include "basis.h"
extern ReflectionList *reflection_list_from_cell(Basis *basis);
extern void reflection_list_from_new_cell(ReflectionList *ordered, Basis *basis);
#endif /* REFLECTION_H */
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