Program Listing for File pdb.hpp
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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2023 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.
*/
#pragma once
#include "cif++/file.hpp"
namespace cif::pdb
{
// PDB to mmCIF
file read(const std::filesystem::path &file);
file read(std::istream &is);
file read_pdb_file(std::istream &pdbFile);
// mmCIF to PDB
void write(std::ostream &os, const datablock &db);
inline void write(std::ostream &os, const file &f)
{
write(os, f.front());
}
void write(const std::filesystem::path &file, const datablock &db);
inline void write(const std::filesystem::path &p, const file &f)
{
write(p, f.front());
}
// --------------------------------------------------------------------
// Other I/O related routines
std::string get_HEADER_line(const datablock &data, std::string::size_type truncate_at = 127);
std::string get_COMPND_line(const datablock &data, std::string::size_type truncate_at = 127);
std::string get_SOURCE_line(const datablock &data, std::string::size_type truncate_at = 127);
std::string get_AUTHOR_line(const datablock &data, std::string::size_type truncate_at = 127);
} // namespace pdbx