libcrystfel  0.10.1
Typedefs | Functions
crystal.h File Reference

Typedefs

typedef struct _crystal Crystal
 

Functions

Crystalcrystal_new (void)
 
Crystalcrystal_copy (const Crystal *cryst)
 
Crystalcrystal_copy_deep (const Crystal *cryst)
 
void crystal_free (Crystal *cryst)
 
UnitCellcrystal_get_cell (Crystal *cryst)
 
const UnitCellcrystal_get_cell_const (const Crystal *cryst)
 
double crystal_get_profile_radius (const Crystal *cryst)
 
RefListcrystal_get_reflections (Crystal *cryst)
 
double crystal_get_resolution_limit (Crystal *cryst)
 
long long int crystal_get_num_saturated_reflections (Crystal *cryst)
 
long long int crystal_get_num_implausible_reflections (Crystal *cryst)
 
int crystal_get_user_flag (Crystal *cryst)
 
double crystal_get_osf (Crystal *cryst)
 
double crystal_get_Bfac (Crystal *cryst)
 
struct imagecrystal_get_image (Crystal *cryst)
 
const struct imagecrystal_get_image_const (const Crystal *cryst)
 
double crystal_get_mosaicity (Crystal *cryst)
 
const char * crystal_get_notes (Crystal *cryst)
 
void crystal_get_det_shift (Crystal *cryst, double *shift_x, double *shift_y)
 
void crystal_set_cell (Crystal *cryst, UnitCell *cell)
 
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_num_saturated_reflections (Crystal *cryst, long long int n)
 
void crystal_set_num_implausible_reflections (Crystal *cryst, long long int n)
 
void crystal_set_user_flag (Crystal *cryst, int flag)
 
void crystal_set_osf (Crystal *cryst, double osf)
 
void crystal_set_Bfac (Crystal *cryst, double B)
 
void crystal_set_image (Crystal *cryst, struct image *image)
 
void crystal_set_mosaicity (Crystal *cryst, double m)
 
void crystal_set_notes (Crystal *cryst, const char *notes)
 
void crystal_set_det_shift (Crystal *cryst, double shift_x, double shift_y)
 
void crystal_add_notes (Crystal *cryst, const char *notes_add)
 

Detailed Description

Data structure representing a crystal

Typedef Documentation

◆ Crystal

typedef struct _crystal Crystal

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

Function Documentation

◆ crystal_copy()

Crystal* crystal_copy ( const Crystal cryst)
Parameters
crystA Crystal to copy.

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.

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

◆ crystal_copy_deep()

Crystal* crystal_copy_deep ( const Crystal cryst)
Parameters
crystA Crystal to copy.

Creates a new Crystal which is a copy of cryst. The copy is a "deep copy", which means that copies ARE made of the data structures which cryst contains references to, for example its RefList.

Returns
A (deep) copy of cryst, or NULL on failure.

◆ crystal_free()

void crystal_free ( Crystal cryst)
Parameters
crystA Crystal to free.

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

◆ crystal_new()

Crystal* crystal_new ( void  )

Create a new Crystal.

Returns
The new unit cell, or NULL on failure.