/* * linear_scale_check.c * * Check that linear scaling works * * Copyright © 2017-2018 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2017-2018 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 #include #include #include #include "../src/scaling.h" int main(int argc, char *argv[]) { int fail = 0; int i; gsl_rng *rng; Crystal *cr; RefList *list1; RefList *list2; int r; UnitCell *cell; list1 = reflist_new(); list2 = reflist_new(); rng = gsl_rng_alloc(gsl_rng_mt19937); for ( i=0; i<50; i++ ) { signed int h, k, l; Reflection *refl1; Reflection *refl2; double intens; h = gsl_rng_uniform_int(rng, 20) - gsl_rng_uniform_int(rng, 40); k = gsl_rng_uniform_int(rng, 20) - gsl_rng_uniform_int(rng, 40); l = gsl_rng_uniform_int(rng, 20) - gsl_rng_uniform_int(rng, 40); refl1 = add_refl(list1, h, k, l); refl2 = add_refl(list2, h, k, l); intens = gsl_rng_uniform(rng); /* [0,1) */ set_intensity(refl1, intens); set_partiality(refl1, 1.0); set_lorentz(refl1, 1.0); set_intensity(refl2, intens*2.0); set_partiality(refl2, 1.0); set_lorentz(refl2, 1.0); } cr = crystal_new(); cell = cell_new(); cell_set_parameters(cell, 50e-10, 50e-10, 50e-10, deg2rad(90), deg2rad(90), deg2rad(90)); crystal_set_reflections(cr, list1); crystal_set_cell(cr, cell); r = scale_one_crystal(cr, list2, SCALE_NO_B); STATUS("Scaling result: %i, G = %f, B = %e\n", r, crystal_get_osf(cr), crystal_get_Bfac(cr)); return fail; }