redchi.h File Reference


Detailed Description

redchi data structures

Many of the fundamental data structures below use parts of GLib, please see the documentation there for information.

#include <stdio.h>
#include <stdlib.h>
#include <clipper/clipper.h>
#include <clipper/clipper-ccp4.h>
#include <clipper/clipper-contrib.h>
#include <clipper/clipper-mmdb.h>
#include "config.h"
#include <glib.h>
#include <gsl/gsl_complex.h>
#include <gsl/gsl_math.h>
#include <gsl/gsl_matrix.h>
#include <gsl/gsl_rng.h>
#include <gsl/gsl_vector.h>

Data Structures

struct  options_struct
 redchi program options More...
struct  cif_atom_struct
 atom data used in CIF_ATOM dataypes in cif_dict_struct More...
struct  cif_dict_struct
 hash data for the dict_ entries in options_struct More...
struct  cif_restraint_struct
 restraint data for the second column/data relation in cif_dict_struct More...
struct  hydrogen_struct
 contains information to idealize hydrogens between refinement cycles More...
struct  model_restraint_struct
 hash data in model_struct - list of restraints applied for refinement More...
struct  refine_struct
 refinement selection information More...
struct  restraint_struct
 used to store relation data for model_restraint_struct More...
struct  shift_struct
 atom shift structure, used as UDD data More...
struct  constraint_struct
 stores constraint callback functions/targets More...
struct  file_struct
 stores file data/information More...
struct  hkl_struct
 data for sets of HKLs More...
struct  model_struct
 top level model structure data array More...

Variables

options_data opts
 global option data (see options_struct)
model_p cur
 global data linked list (see model_struct)


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