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/*
* post-refinement.h
*
* Post refinement
*
* Copyright © 2012-2015 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2010-2015 Thomas White <taw@physics.org>
*
* 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/>.
*
*/
#ifndef POST_REFINEMENT_H
#define POST_REFINEMENT_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdio.h>
#include "image.h"
#include "utils.h"
#include "crystal.h"
#include "geometry.h"
struct prdata
{
int refined;
int n_filtered;
/* Before refinement */
double initial_residual;
double initial_free_residual;
double initial_log_residual;
double initial_free_log_residual;
/* After refinement */
double final_residual;
double final_free_residual;
double final_log_residual;
double final_free_log_residual;
};
enum prflag
{
PRFLAG_OK = 0,
PRFLAG_FEWREFL = 16,
PRFLAG_SOLVEFAIL = 17,
PRFLAG_EARLY = 18,
PRFLAG_CC = 19,
PRFLAG_BIGB = 20,
};
extern const char *str_prflag(enum prflag flag);
extern void refine_all(Crystal **crystals, int n_crystals,
RefList *full, int nthreads, PartialityModel pmodel,
int no_scale, int no_pr, double max_B,
double *initial_residual,
double *initial_free_residual,
double *initial_log_residual,
double *initial_free_log_residual,
double *final_residual,
double *final_free_residual,
double *final_log_residual,
double *final_free_log_residual);
/* Exported so it can be poked by tests/pr_p_gradient_check */
extern double gradient(Crystal *cr, int k, Reflection *refl,
PartialityModel pmodel);
#endif /* POST_REFINEMENT_H */
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