Crystal

Crystal — Crystal

Synopsis

#include "crystal.h"


typedef             Crystal;
Crystal *           crystal_new                         (void);
Crystal *           crystal_copy                        (Crystal *cryst);
void                crystal_free                        (Crystal *cryst);

UnitCell *          crystal_get_cell                    (Crystal *cryst);
struct image *      crystal_get_image                   (Crystal *cryst);
double              crystal_get_mosaicity               (Crystal *cryst);
long long int       crystal_get_num_saturated_reflections
                                                        (Crystal *cryst);
double              crystal_get_osf                     (Crystal *cryst);
double              crystal_get_profile_radius          (Crystal *cryst);
RefList *           crystal_get_reflections             (Crystal *cryst);
double              crystal_get_resolution_limit        (Crystal *cryst);
int                 crystal_get_user_flag               (Crystal *cryst);
void                crystal_set_cell                    (Crystal *cryst,
                                                         UnitCell *cell);
void                crystal_set_image                   (Crystal *cryst,
                                                         struct image *image);
void                crystal_set_mosaicity               (Crystal *cryst,
                                                         double m);
void                crystal_set_num_saturated_reflections
                                                        (Crystal *cryst,
                                                         long long int n);
void                crystal_set_osf                     (Crystal *cryst,
                                                         double osf);
void                crystal_set_profile_radius          (Crystal *cryst,
                                                         double r);
void                crystal_set_reflections             (Crystal *cryst,
                                                         RefList *reflist);
void                crystal_set_resolution_limit        (Crystal *cryst,
                                                         double res);
void                crystal_set_user_flag               (Crystal *cryst,
                                                         int flag);

Description

This structure represents a single crystal.

Details

Crystal

typedef struct _crystal Crystal;

This data structure is opaque. You must use the available accessor functions to read and write its contents.


crystal_new ()

Crystal *           crystal_new                         (void);

Create a new Crystal.

Returns :

the new unit cell, or NULL on failure.

crystal_copy ()

Crystal *           crystal_copy                        (Crystal *cryst);

Creates a new Crystal which is a copy of cryst. The copy is a "shallow copy", which means that copies are NOT made of the data structures which cryst contains references to, for example its RefList.

cryst :

A Crystal to copy.

Returns :

a (shallow) copy of cryst, or NULL on failure.

crystal_free ()

void                crystal_free                        (Crystal *cryst);

Frees a Crystal, and all internal resources concerning that crystal.

cryst :

A Crystal to free.

crystal_get_cell ()

UnitCell *          crystal_get_cell                    (Crystal *cryst);

crystal_get_image ()

struct image *      crystal_get_image                   (Crystal *cryst);

crystal_get_mosaicity ()

double              crystal_get_mosaicity               (Crystal *cryst);

crystal_get_num_saturated_reflections ()

long long int       crystal_get_num_saturated_reflections
                                                        (Crystal *cryst);

crystal_get_osf ()

double              crystal_get_osf                     (Crystal *cryst);

crystal_get_profile_radius ()

double              crystal_get_profile_radius          (Crystal *cryst);

crystal_get_reflections ()

RefList *           crystal_get_reflections             (Crystal *cryst);

crystal_get_resolution_limit ()

double              crystal_get_resolution_limit        (Crystal *cryst);

crystal_get_user_flag ()

int                 crystal_get_user_flag               (Crystal *cryst);

crystal_set_cell ()

void                crystal_set_cell                    (Crystal *cryst,
                                                         UnitCell *cell);

crystal_set_image ()

void                crystal_set_image                   (Crystal *cryst,
                                                         struct image *image);

crystal_set_mosaicity ()

void                crystal_set_mosaicity               (Crystal *cryst,
                                                         double m);

crystal_set_num_saturated_reflections ()

void                crystal_set_num_saturated_reflections
                                                        (Crystal *cryst,
                                                         long long int n);

crystal_set_osf ()

void                crystal_set_osf                     (Crystal *cryst,
                                                         double osf);

crystal_set_profile_radius ()

void                crystal_set_profile_radius          (Crystal *cryst,
                                                         double r);

crystal_set_reflections ()

void                crystal_set_reflections             (Crystal *cryst,
                                                         RefList *reflist);

crystal_set_resolution_limit ()

void                crystal_set_resolution_limit        (Crystal *cryst,
                                                         double res);

crystal_set_user_flag ()

void                crystal_set_user_flag               (Crystal *cryst,
                                                         int flag);