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/*
* cdm.h
*
* "Conventional" Direct Methods
*
* (c) 2006 Thomas White <taw27@cam.ac.uk>
* Synth2d - two-dimensional Fourier synthesis
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#ifndef CDM_H
#define CDM_H
#include <stdint.h>
#include "reflist.h"
#include "symmetry.h"
#define MAX_TRIPLETS 65536
typedef struct {
Reflection p;
Reflection q;
/* The other reflection in the triplet is -p-q */
double G;
} Triplet;
typedef struct {
Triplet triplets[MAX_TRIPLETS];
unsigned int n_triplets;
} TripletList;
typedef struct s_phase_sol {
unsigned int n; /* Reference number */
unsigned int phasing_code; /* Phase values, binary 1->Pi, 0->0. Only works for centro */
double unflatness; /* Luzzatti 'unflatness': sigma(rho^4) */
double entropy; /* Entropy -sigma(P*ln(P)) */
struct s_phase_sol *next;
} PhasingSolution;
typedef struct {
unsigned int auto_iterate;
unsigned int refine;
double emin;
double gmin;
double amin;
Symmetry sym;
ReflectionList *reflections; /* Overall list of reflections (used to store results) */
ReflectionList *strongest_reflections; /* Strongest reflections (used for phasing) */
TripletList *triplet_list; /* List of active triplets */
ReflectionList *basis_list; /* Starting set of reflections */
GtkWidget *solution_tree_view;
GtkListStore *solution_list_store;
PhasingSolution *solutions;
unsigned int n_assigned_basis;
unsigned int n_assigned_expansion;
unsigned int n_refined;
} CDMContext;
extern void cdm_dialog_open(void);
extern unsigned int cdm_tangentexpansion(CDMContext *cdm);
extern void cdm_display_phasing_solution(CDMContext *cdm, PhasingSolution *sol, ReflectionList *reflections);
#endif /* CDM_H */
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