Crystal

Crystal — Crystal

Functions

Types and Values

typedef Crystal

Includes

#include "crystal.h"

Description

This structure represents a single crystal.

Functions

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.

Parameters

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.

Parameters

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_Bfac ()

double
crystal_get_Bfac (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_get_num_implausible_reflections ()

long long int
crystal_get_num_implausible_reflections
                               (Crystal *cryst);

crystal_get_notes ()

const char *
crystal_get_notes (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_Bfac ()

void
crystal_set_Bfac (Crystal *cryst,
                  double B);

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);

crystal_set_num_implausible_reflections ()

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

crystal_set_notes ()

void
crystal_set_notes (Crystal *cryst,
                   const char *notes);

crystal_add_notes ()

void
crystal_add_notes (Crystal *cryst,
                   const char *notes_add);

Types and Values

Crystal

typedef struct _crystal Crystal;

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