/* * predict-refine.h * * Prediction refinement * * Copyright © 2012-2021 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2010-2019 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 . * */ #ifndef PREDICT_REFINE_H #define PREDICT_REFINE_H #include struct reflpeak; /** Enumeration of parameters which may want to be refined */ enum gparam { GPARAM_ASX, GPARAM_ASY, GPARAM_ASZ, GPARAM_BSX, GPARAM_BSY, GPARAM_BSZ, GPARAM_CSX, GPARAM_CSY, GPARAM_CSZ, GPARAM_DET_TX, GPARAM_DET_TY, GPARAM_DET_TZ, GPARAM_DET_RX, /* Detector panel (group) rotation about +x */ GPARAM_DET_RY, /* Detector panel (group) rotation about +y */ GPARAM_DET_RZ, /* Detector panel (group) rotation about +z */ }; #include "crystal.h" #include "crystfel-mille.h" struct reflpeak { Reflection *refl; struct imagefeature *peak; double Ih; /* normalised */ }; /** * \file predict-refine.h * Prediction refinement: refinement of indexing solutions before integration. */ extern int refine_prediction(struct image *image, Crystal *cr, Mille *mille, int max_mille_level); extern int refine_radius(Crystal *cr, struct image *image); extern double r_dev(struct reflpeak *rp); extern double fs_dev(struct reflpeak *rp, struct detgeom *det); extern double ss_dev(struct reflpeak *rp, struct detgeom *det); extern double r_gradient(int param, Reflection *refl, UnitCell *cell, double wavelength); extern int fs_ss_gradient(int param, Reflection *refl, UnitCell *cell, struct detgeom_panel *p, gsl_matrix *panel_Minv, double cx, double cy, double cz, float *fsg, float *ssg); #endif /* PREDICT_REFINE_H */