/* * gradient_panel_asx.c * * Check gradients for prediction refinement * * Copyright © 2012-2023 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2012-2023 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 . * */ #include #include #include #include #include #include #include "gradient_check_utils.h" int main(int argc, char *argv[]) { struct image image; struct reflpeak *rps; int n_refls; double **before; double **after; int i; int n_wrong_r = 0; int n_wrong_fs = 0; int n_wrong_ss = 0; int fail = 0; double step = 1e4; double asx, asy, asz; double bsx, bsy, bsz; double csx, csy, csz; rps = make_test_image(&n_refls, &image); before = make_dev_list(rps, n_refls, image.detgeom); image.detgeom->panels[0].cnx += step; cell_get_reciprocal(crystal_get_cell(image.crystals[0]), &asx, &asy, &asz, &bsx, &bsy, &bsz, &csx, &csy, &csz); asx += step; cell_set_reciprocal(crystal_get_cell(image.crystals[0]), asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); update_predictions(image.crystals[0]); after = make_dev_list(rps, n_refls, image.detgeom); for ( i=0; i 0.001 ) n_wrong_r++; if ( fabs(obs[1] - calc[1]) > 1e-6 ) n_wrong_fs++; if ( fabs(obs[2] - calc[2]) > 1e-6 ) n_wrong_ss++; } if ( n_wrong_r > 0 ) { fprintf(stderr, "%i out of %i R gradients were wrong.\n", n_wrong_r, n_refls); fail = 1; } if ( n_wrong_fs > 0 ) { fprintf(stderr, "%i out of %i fs gradients were wrong.\n", n_wrong_fs, n_refls); fail = 1; } if ( n_wrong_ss > 0 ) { fprintf(stderr, "%i out of %i ss gradients were wrong.\n", n_wrong_ss, n_refls); fail = 1; } return fail; }