/* * symop_parse.c * * Check that symmetry operation parsing works * * Copyright © 2021 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2021 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 int main(int argc, char *argv[]) { int r = 0; RationalMatrix *mtx; SymOpList *sym; mtx = parse_symmetry_operation("h,k,l"); if ( !rtnl_mtx_is_identity(mtx) ) { printf("h,k,l not an identity:\n"); rtnl_mtx_print(mtx); r = 1; } mtx = parse_symmetry_operation("k,h,-l"); mtx = parse_symmetry_operation("h,k,l"); if ( !rtnl_mtx_is_identity(mtx) ) { printf("h,k,l not an identity on second attempt:\n"); rtnl_mtx_print(mtx); r = 1; } sym = parse_symmetry_operations("h,k,l;k,h,-l;-h,-k,l"); if ( sym == NULL ) r = 1; mtx = parse_symmetry_operation("h,k,fail"); if ( mtx != NULL ) r = 1; sym = parse_symmetry_operations("k,h,-l;h,k,fail;h,k,l"); if ( sym != NULL ) r = 1; return r; }