| /*- | |
| * 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. | |
| */ | |
| 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); | |
| } | |