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Diffstat (limited to 'tests/gradient_cell_asx.c')
-rw-r--r-- | tests/gradient_cell_asx.c | 118 |
1 files changed, 118 insertions, 0 deletions
diff --git a/tests/gradient_cell_asx.c b/tests/gradient_cell_asx.c new file mode 100644 index 00000000..47649286 --- /dev/null +++ b/tests/gradient_cell_asx.c @@ -0,0 +1,118 @@ +/* + * 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 <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/>. + * + */ + +#include <stdlib.h> +#include <stdio.h> +#include <getopt.h> + +#include <image.h> +#include <geometry.h> +#include <predict-refine.h> + +#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<n_refls; i++ ) { + + double calc[3]; + double obs[3]; + + calc[0] = r_gradient(GPARAM_ASX, rps[i].refl, + crystal_get_cell(image.crystals[0]), + image.lambda); + + calc[1] = fs_gradient(GPARAM_ASX, rps[i].refl, + crystal_get_cell(image.crystals[0]), + rps[i].panel); + + calc[2] = ss_gradient(GPARAM_ASX, rps[i].refl, + crystal_get_cell(image.crystals[0]), + rps[i].panel); + + obs[0] = (after[0][i] - before[0][i]) / step; + obs[1] = (after[1][i] - before[1][i]) / step; + obs[2] = (after[2][i] - before[2][i]) / step; + + if ( fabs(obs[0] - calc[0]) > 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; +} |