/* * reflist-utils.h * * Utilities to complement the core reflist.c * * Copyright © 2012 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2011-2012 Thomas White * * 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 . * */ #ifdef HAVE_CONFIG_H #include #endif #ifndef REFLIST_UTILS_H #define REFLIST_UTILS_H #include "reflist.h" #include "cell.h" #include "symmetry.h" #define REFLECTION_END_MARKER "End of reflections" extern void write_reflections_to_file(FILE *fh, RefList *list); extern int write_reflist(const char *filename, RefList *list); extern RefList *read_reflections_from_file(FILE *fh); extern RefList *read_reflections(const char *filename); 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); #endif /* REFLIST_UTILS_H */