Pteros
2.0
Molecular modeling library for human beings!
xyz_file.h
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/*
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* This file is a part of
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*
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* ============================================
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* ### Pteros molecular modeling library ###
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* ============================================
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*
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* https://github.com/yesint/pteros
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*
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* (C) 2009-2021, Semen Yesylevskyy
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*
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* All works, which use Pteros, should cite the following papers:
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*
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* 1. Semen O. Yesylevskyy, "Pteros 2.0: Evolution of the fast parallel
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* molecular analysis library for C++ and python",
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* Journal of Computational Chemistry, 2015, 36(19), 1480–1488.
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* doi: 10.1002/jcc.23943.
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*
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* 2. Semen O. Yesylevskyy, "Pteros: Fast and easy to use open-source C++
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* library for molecular analysis",
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* Journal of Computational Chemistry, 2012, 33(19), 1632–1636.
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* doi: 10.1002/jcc.22989.
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*
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* This is free software distributed under Artistic License:
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* http://www.opensource.org/licenses/artistic-license-2.0.php
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*
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*/
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#pragma once
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#include <string>
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#include "vmd_molfile_plugin_wrapper.h"
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namespace
pteros {
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class
XyzFile
:
public
VmdMolfilePluginWrapper
{
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public
:
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XyzFile
(std::string fname);
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virtual
FileContent
get_content_type
()
const
{
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return
FileContent()
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.atoms(
true
)
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.traj(
true
);
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}
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};
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}
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pteros::VmdMolfilePluginWrapper
Generic API for reading and writing any molecule file formats.
Definition:
vmd_molfile_plugin_wrapper.h:40
pteros::XyzFile::get_content_type
virtual FileContent get_content_type() const
Reports content of this file type.
Definition:
xyz_file.h:41
pteros::XyzFile
Generic API for reading and writing any molecule file formats.
Definition:
xyz_file.h:37
src
core
io
xyz_file.h
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