/*- * SPDX-License-Identifier: BSD-2-Clause * * Copyright (c) 2021 NKI/AVL, Netherlands Cancer Institute * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * 1. Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer * 2. Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND * ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED * WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE * DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR * ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES * (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; * LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND * ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS * SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. */ #include "test-main.hpp" #include #include #include TEST_CASE("rename") { cif::VERBOSE = 3; if (std::filesystem::exists(gTestDir / ".." / "rsrc" / "ccd-subset.cif")) cif::add_file_resource("components.cif", gTestDir / ".." / "rsrc" / "ccd-subset.cif"); if (std::filesystem::exists(gTestDir / ".." / "rsrc" / "mmcif_pdbx.dic")) cif::add_file_resource("mmcif_pdbx.dic", gTestDir / ".." / "rsrc" / "mmcif_pdbx.dic"); cif::compound_factory::instance().push_dictionary(gTestDir / "REA.cif"); cif::compound_factory::instance().push_dictionary(gTestDir / "RXA.cif"); cif::file f(gTestDir / ".."/"examples"/"1cbs.cif.gz"); cif::mm::structure structure(f); auto &res = structure.get_residue("B"); structure.change_residue(res, "RXA", {}); structure.cleanup_empty_categories(); f.save(std::cout); if (not f.is_valid()) throw std::runtime_error("Invalid"); f.save(std::cout); }