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/*
* reflist-utils.h
*
* Utilities to complement the core reflist.c
*
* Copyright © 2012-2021 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2011-2019 Thomas White <taw@physics.org>
* 2014 Valerio Mariani
*
* This file is part of CrystFEL.
*
* CrystFEL is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* CrystFEL is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
*
*/
/** @cond */
#ifndef REFLIST_UTILS_H
#define REFLIST_UTILS_H
/** @endcond */
#include "image.h"
#include "reflist.h"
#include "cell.h"
#include "symmetry.h"
#ifdef __cplusplus
extern "C" {
#endif
/** \file reflist-utils.h
*
* Reflection list utility functions.
*/
/** @cond
* Used in stream.c as well, but not part of the API */
#define REFLECTION_END_MARKER "End of reflections"
/** @endcond */
extern int write_reflist(const char *filename, RefList *list);
extern int write_reflist_2(const char *filename, RefList *list, SymOpList *sym);
extern RefList *read_reflections(const char *filename);
extern RefList *read_reflections_2(const char *filename, char **sym);
extern RefList *read_reflections_3(const char *filename, char **sym, UnitCell **cell);
extern int check_list_symmetry(RefList *list, const SymOpList *sym);
extern 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);
extern RefList *asymmetric_indices(RefList *in, const SymOpList *sym);
extern void resolution_limits(RefList *list, UnitCell *cell,
double *rmin, double *rmax);
extern double max_intensity(RefList *list);
extern RefList *res_cutoff(RefList *list, UnitCell *cell,
double min, double max);
extern RefList *copy_reflist(RefList *list);
extern void free_contribs(RefList *list);
extern void reflist_add_command_and_version(RefList *list,
int argcv, char *argv[]);
extern int write_to_mtz(RefList *reflist, SymOpList *sym, UnitCell *cell,
double min_res, double max_res,
const char *filename, const char *dataset_name,
const char *crystal_name, const char *project_name,
int bij);
extern int write_to_xds(RefList *reflist, SymOpList *sym, UnitCell *cell,
double min_res, double max_res, const char *filename);
extern int libcrystfel_can_write_mtz(void);
#ifdef __cplusplus
}
#endif
/** @cond */
#endif /* REFLIST_UTILS_H */
/** @endcond */
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