| CrystFEL Reference Manual | ||||
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| Top | Description | ||||
#include "reflist-utils.h" int write_reflist (const char *filename,RefList *list); int write_reflist_2 (const char *filename,RefList *list,SymOpList *sym); void write_reflections_to_file (FILE *fh,RefList *list); RefList * read_reflections (const char *filename); RefList * read_reflections_from_file (FILE *fh); RefList * asymmetric_indices (RefList *in,const SymOpList *sym); RefList * res_cutoff (RefList *list,UnitCell *cell,double min,double max); int check_list_symmetry (RefList *list,const SymOpList *sym); RefList * copy_reflist (RefList *list); int find_equiv_in_list (RefList *list,signed int h,signed int k,signed int l,const SymOpList *sym,signed int *hu,signed int *ku,signed int *lu); void resolution_limits (RefList *list,UnitCell *cell,double *rmin,double *rmax); double max_intensity (RefList *list);
int write_reflist (const char *filename,RefList *list);
write_reflist is deprecated and should not be used in newly-written code. use write_reflist_2() instead.
This function writes the contents of list to file,
Reflections which have a redundancy of zero will not be written.
The resulting list can be read back with read_reflections_from_file() or
read_reflections().
This is a convenience function which simply opens filename and then calls
write_reflections_to_file.
|
Filename |
|
The reflection list to write |
Returns : |
zero on success, non-zero on failure. |
int write_reflist_2 (const char *filename,RefList *list,SymOpList *sym);
This function writes the contents of list to file,
Reflections which have a redundancy of zero will not be written.
The resulting list can be read back with read_reflections_from_file() or
read_reflections().
|
Filename |
|
The reflection list to write |
|
A SymOpList describing the symmetry of the list |
Returns : |
zero on success, non-zero on failure. |
void write_reflections_to_file (FILE *fh,RefList *list);
This function writes the contents of list to fh,
Reflections which have a redundancy of zero will not be written.
The resulting list can be read back with read_reflections_from_file().
|
File handle to write to |
|
The reflection list to write |
RefList * asymmetric_indices (RefList *in,const SymOpList *sym);
This function creates a newly allocated copy of in, but indexed using the
asymmetric indices according to sym instead of the original indices. The
original indices are stored and can be retrieved using
get_symmetric_indices() if required.
RefList * res_cutoff (RefList *list,UnitCell *cell,double min,double max);
Applies a resolution cutoff to list, returning the new version and freeing
the old version.
int find_equiv_in_list (RefList *list,signed int h,signed int k,signed int l,const SymOpList *sym,signed int *hu,signed int *ku,signed int *lu);
void resolution_limits (RefList *list,UnitCell *cell,double *rmin,double *rmax);
This function calculates the minimum and maximum values of 1/d, where 2dsin(theta) = wavelength. The answers are in m^-1.